Version2.1
2020-12-18T09:12:35Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
20-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC[C@H](C)Sc1[nH]c(=O)c2c(n1)NC3=C([C@@H]2c4cc(c(c(c4)OC)OC)OC)C(=O)CCC3 C35449864
RHF
6-31G(d)
(6D,7F)
CC[C@H](C)Sc1[nH]c(=O)c2c(n1)NC3=C([C@@H]2c4cc(c(c(c4)OC)OC)OC)C(=O)CCC3
C01[X(C24H29N3O5S1)]
180
C1
557
CC[C@@H](Sc1nc2NC3=C([C@@H](c2c(=O)[nH]1)c1cc(OC)c(c(c1)OC)OC)C(=O)CCC3)C
CC[C@@H](Sc1nc2NC3=C([C@@H](c2c(=O)[nH]1)c1cc(OC)c(c(c1)OC)OC)C(=O)CCC3)C
CC[C@H](C)SC1=NC2=C([C@@H](c3cc(OC)c(OC)c(OC)c3)C4=C(CCCC4=O)N2)C(=O)N1
InChIKey=KNMPJDBMVAQTHY-SGTLLEGYSA-N
InChI=1S/C24H29N3O5S/c1-6-12(2)33-24-26-22-20(23(29)27-24)18(19-14(25-22)8-7-9-15(19)28)13-10-16(30-3)21(32-5)17(11-13)31-4/h10-12,18H,6-9H2,1-5H3,(H2,25,26,27,29)/t12-,18-/m0/s1
InChI=1/C24H29N3O5S/c1-6-12(2)33-24-26-22-20(23(29)27-24)18(19-14(25-22)8-7-9-15(19)28)13-10-16(30-3)21(32-5)17(11-13)31-4/h10-12,18H,6-9H2,1-5H3,(H2,25,26,27,29)/t12-,18-/m0/s1/f/h25,27H
CC[C@H](C)Sc1[nH]c(=O)c2c(n1)NC3=C([C@@H]2c4cc(c(c(c4)OC)OC)OC)C(=O)CCC3
C01[X(C24H29N3O5S1)]
180
C01
557
CC[C@@H](Sc1nc2NC3=C([C@@H](c2c(=O)[nH]1)c1cc(OC)c(c(c1)OC)OC)C(=O)CCC3)C
CC[C@@H](S[C]1[N][C]2[C]([C](=O)N1)[C@@H]([C]1[CH][C]([C]([C]([CH]1)OC)OC)OC)C1=C(N2)CCCC1=O)C
CC[C@H](C)S[C]1[N][C]2NC3=C([C@H]([C]4[CH][C](OC)[C](OC)[C]([CH]4)OC)[C]2C(=O)N1)C(=O)CCC3
InChIKey=KNMPJDBMVAQTHY-SGTLLEGYSA-N
InChI=1S/C24H29N3O5S/c1-6-12(2)33-24-26-22-20(23(29)27-24)18(19-14(25-22)8-7-9-15(19)28)13-10-16(30-3)21(32-5)17(11-13)31-4/h10-12,18H,6-9H2,1-5H3,(H2,25,26,27,29)/t12-,18-/m0/s1
InChI=1/C24H29N3O5S/c1-6-12(2)33-24-26-22-20(23(29)27-24)18(19-14(25-22)8-7-9-15(19)28)13-10-16(30-3)21(32-5)17(11-13)31-4/h10-12,18H,6-9H2,1-5H3,(H2,25,26,27,29)/t12-,18-/m0/s1/f/h25,27H
3690.5157134348
-1860.8977851
1-A
18237.2804
125
432
557
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10.32909
9.2057 2.4555 4.0134
10.3384
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-197.0266 -187.4281 -200.1867 -1.0542 11.7332 9.9004
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-2.1462 7.4524 -5.3062 -1.0542 11.7332 9.9004
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190.9787 15.3338 35.1394 -1.6855 -25.1032 -45.5127 -11.4081 -2.8861 43.6307 -19.7572
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180
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8.5716 17.2821 26.8454 37.8939 45.8252 51.8725 52.0905 73.5688 74.5073 76.4051 88.0565 102.8080 106.3053 107.9470 126.9261 147.3640 162.9090 173.5671 181.6598 196.5475 202.2200 212.7631 227.8275 229.2179 246.9781 259.0965 261.8495 272.3611 278.3996 292.8569 310.2850 315.7467 322.3993 325.3273 354.5785 377.2563 390.0396 393.7003 398.6657 407.6475 475.6678 488.1729 494.6971 504.6648 523.2846 535.6691 577.6304 583.6113 590.2918 603.1150 616.3615 646.1880 667.8263 677.5749 679.3377 694.6044 698.4196 717.0334 722.8106 741.0610 756.0456 772.9657 809.7728 818.0198 846.8409 855.9389 866.8096 872.4731 901.6662 915.7377 940.1434 953.3103 957.8611 980.2616 984.7853 1034.6628 1049.0083 1060.8707 1074.1943 1090.2196 1104.4979 1107.3538 1148.4479 1159.4400 1165.6734 1189.5921 1193.7041 1200.2907 1218.2062 1222.8564 1238.3490 1259.5592 1269.5923 1282.4671 1290.1217 1292.9649 1294.4449 1294.5887 1303.2753 1305.4717 1328.2328 1336.1912 1343.8962 1348.2696 1360.6131 1364.1433 1380.7840 1396.8313 1401.5309 1402.9031 1404.6007 1448.8323 1451.5677 1466.3931 1481.1247 1495.9620 1506.6107 1519.4032 1526.5955 1529.0821 1553.8190 1566.0013 1571.5666 1604.2450 1612.4819 1615.2955 1622.6477 1628.5628 1631.0166 1638.4376 1639.2674 1642.5119 1644.1182 1647.2902 1648.2633 1649.2712 1651.2061 1651.7869 1651.8701 1655.2574 1661.0181 1661.4763 1662.3071 1704.1553 1755.2097 1792.1553 1801.7154 1816.6530 1862.8806 1960.8693 1972.9081 3193.5244 3197.2324 3200.5646 3202.4143 3208.7879 3210.4554 3211.9755 3211.9971 3213.0203 3232.8570 3233.2606 3258.3771 3261.6563 3268.1278 3268.4621 3272.5416 3277.8227 3278.4013 3288.1084 3288.6235 3302.2035 3309.6794 3311.7065 3319.8029 3322.9972 3406.9037 3428.7594 3841.2428 3880.0040
4.5188 4.4272 4.2084 3.9950 5.9944 3.7249 3.4396 3.7587 3.4353 4.8797 3.4721 4.1486 2.6454 2.6732 3.6656 5.4705 1.0844 6.0601 5.7835 3.4859 2.8467 3.1136 1.9943 2.3746 1.5370 2.4178 3.4721 1.4644 2.6995 1.3468 7.1656 3.1773 3.2574 2.8174 6.2226 3.1597 4.0436 4.4727 4.2664 3.5188 5.7078 2.9902 2.3708 4.3842 2.3075 3.1356 6.2492 5.6761 5.7245 3.3584 7.6036 3.9642 3.7233 3.0729 2.7505 2.7082 3.8633 4.0939 4.8412 4.8499 4.7356 4.4482 4.5623 6.1694 4.4638 3.8718 1.2505 4.4174 7.7502 2.0659 1.7417 1.5657 1.5479 2.7162 2.2796 5.8550 1.5317 5.1291 6.7677 3.1161 1.4946 2.0835 2.7368 5.6463 3.4131 2.0791 1.5362 5.5669 2.8342 1.9802 5.9901 2.3814 1.4861 2.0107 1.2615 2.3263 1.2774 1.2806 4.2166 2.0843 1.4860 1.4039 2.1892 1.8045 1.7896 2.6745 1.3260 1.9649 1.9737 1.8506 1.8329 1.1887 1.2335 1.6372 1.9686 5.1255 1.7494 2.6334 1.5173 1.4590 3.0143 1.2520 1.2734 1.8798 2.3702 1.1590 1.2152 1.0995 1.0600 1.0568 1.2214 1.0446 1.3329 1.0419 1.1484 1.1172 1.0503 1.0493 1.0696 1.0581 2.1183 1.0929 1.0884 3.7216 5.5665 7.2014 6.0632 4.8659 9.5323 9.7321 11.6154 1.0633 1.0723 1.0571 1.0346 1.0389 1.0470 1.0672 1.0355 1.0318 1.0936 1.1008 1.1035 1.1070 1.1006 1.1020 1.0853 1.1075 1.1069 1.0952 1.1020 1.0908 1.1048 1.0980 1.1013 1.1031 1.0903 1.0915 1.0796 1.0787
0.0002 0.0008 0.0018 0.0034 0.0074 0.0059 0.0055 0.0120 0.0112 0.0168 0.0159 0.0258 0.0176 0.0184 0.0348 0.0700 0.0170 0.1076 0.1125 0.0793 0.0686 0.0830 0.0610 0.0735 0.0552 0.0956 0.1403 0.0640 0.1233 0.0681 0.4065 0.1866 0.1995 0.1757 0.4609 0.2650 0.3624 0.4085 0.3995 0.3445 0.7609 0.4198 0.3418 0.6579 0.3723 0.5301 1.2285 1.1391 1.1752 0.7198 1.7019 0.9753 0.9784 0.8312 0.7479 0.7699 1.1103 1.2401 1.4902 1.5692 1.5949 1.5659 1.7626 2.4323 1.8861 1.6713 0.5536 1.9812 3.7124 1.0207 0.9070 0.8384 0.8368 1.5378 1.3025 3.6930 0.9931 3.4011 4.6010 2.1822 1.0743 1.5053 2.1268 4.4721 2.7324 1.7335 1.2897 4.7254 2.4781 1.7446 5.4122 2.2260 1.4113 1.9484 1.2371 2.2914 1.2611 1.2645 4.2197 2.0929 1.5446 1.4768 2.3295 1.9327 1.9519 2.9323 1.4895 2.2588 2.2842 2.1460 2.1306 1.4701 1.5314 2.0742 2.5445 6.7581 2.3396 3.5818 2.0834 2.0099 4.2878 1.8090 1.8530 2.8504 3.6309 1.7818 1.8852 1.7181 1.6615 1.6714 1.9338 1.6604 2.1228 1.6658 1.8383 1.7904 1.6872 1.6868 1.7196 1.7081 3.4434 1.7775 1.7719 6.3680 10.1040 13.6276 11.5963 9.4615 19.4902 22.0472 26.6377 6.3891 6.4583 6.3800 6.2515 6.3026 6.3583 6.4868 6.2946 6.2759 6.7344 6.7803 6.9028 6.9385 6.9260 6.9364 6.8484 7.0107 7.0097 6.9766 7.0219 7.0084 7.1300 7.0953 7.1509 7.1767 7.4560 7.5603 9.3856 9.5680
0.2504 0.2836 0.5030 0.2015 2.2169 2.6213 3.9626 2.7589 0.7908 1.2771 1.3913 1.3172 3.2644 3.0359 0.3171 1.0676 0.2443 6.5185 1.9303 4.2264 0.8249 1.0574 0.2370 0.4067 0.0982 0.8918 5.0839 0.2285 2.0042 1.2262 7.5457 1.2487 5.1573 4.1668 0.6670 1.9728 11.3036 2.5702 1.0519 1.0285 2.4984 0.0914 27.9102 4.3824 43.9950 22.6520 10.1916 2.6496 13.3179 14.0327 4.5072 22.8432 10.8047 23.1891 35.6246 16.1424 18.9968 12.0513 2.2978 2.6019 13.5290 7.6981 17.7905 5.9579 57.9268 8.5482 8.8575 3.9714 48.0844 3.9452 9.1894 2.5180 7.2982 5.4284 21.8563 4.6888 0.9466 4.8179 42.4555 15.7259 17.1564 0.0252 0.5979 71.5115 20.9711 3.1483 7.6722 6.1062 9.7105 2.3455 21.8836 24.2574 34.9783 13.6844 0.8102 33.8113 4.2930 1.2867 298.1321 253.5039 16.7580 1.7429 18.4328 56.9247 31.5804 63.9182 11.7420 237.3218 130.3238 109.7417 78.7776 3.7629 24.2714 95.9453 2.7809 122.7814 25.3417 21.4737 7.1228 13.0364 24.3737 4.8999 6.0791 189.4080 208.8445 5.2015 31.4891 2.7262 2.4805 4.8545 1.5214 3.9342 22.2445 15.3130 2.4536 2.8612 6.4233 7.9879 2.3642 2.8281 391.0272 46.9650 39.1674 190.6283 1036.2817 192.9080 25.7681 69.6149 165.2028 337.3481 659.6368 24.1170 10.5411 13.8186 47.5613 40.0081 34.1366 11.6373 75.0552 47.9009 52.7928 19.5130 47.8018 57.5351 42.4134 26.4341 4.1160 45.5492 45.4879 24.2607 38.2022 24.7913 64.2298 21.9436 51.4455 57.1175 7.2337 2.4689 99.0061 83.7980
1.9171 0.4671 1.2743 1.8204 3.0473 0.3171 0.1387 0.3158 0.2280 0.2593 0.4262 0.5764 0.2841 0.1697 0.6825 1.6409 0.1537 0.4187 0.8920 0.1448 0.5428 0.3543 1.0697 0.9596 0.5477 1.8902 1.3697 0.4072 0.5303 0.0141 1.9674 0.2617 2.2909 1.1801 0.2554 1.5166 0.1077 2.6924 3.9250 0.5759 1.0656 3.1359 2.3488 3.1119 2.0605 6.6859 4.0834 2.6325 1.2599 1.1954 3.7407 6.7633 5.4688 1.9840 1.4481 4.4632 3.3311 2.2761 0.9894 0.9780 7.1012 3.8940 0.6805 3.8634 7.9624 11.3514 1.9428 8.5350 8.5797 13.9431 0.2154 2.2867 0.4409 2.2727 4.2781 0.9903 1.9835 3.1521 4.5398 1.1382 1.8927 4.7661 8.7886 14.3838 5.9472 4.0700 5.4958 11.7535 1.5563 5.5975 20.2355 3.0213 3.8065 2.6870 5.0974 5.3047 1.9951 6.2053 2.9093 8.3083 2.5253 2.3799 8.1842 1.1288 17.6261 3.0564 12.4666 55.0088 10.9484 10.8369 14.6421 9.2856 11.3415 8.4433 7.9110 7.8612 7.6809 6.7266 0.4441 1.6048 3.8795 2.0654 2.1224 4.1345 17.3601 19.1310 7.0933 20.8136 3.0800 46.2651 7.4122 26.6558 2.8365 3.9058 22.8766 10.0431 20.9685 20.1173 4.4605 17.5183 33.0017 10.5173 20.1547 10.8377 181.1430 3.3819 89.0378 3.3266 99.2749 12.3609 46.1751 92.2183 87.4531 14.3373 78.6064 33.8784 258.6248 53.4034 39.8724 180.0183 99.7792 122.3879 134.7587 35.3096 94.9381 101.3774 33.2221 27.9841 43.1280 121.3777 38.5195 37.1152 155.5130 41.5871 129.4882 159.2075 25.8514 46.4397 50.5939 68.6337
0.7489 0.7182 0.7500 0.7406 0.7117 0.6973 0.6951 0.7259 0.7285 0.5392 0.7208 0.6592 0.7417 0.5717 0.3967 0.1777 0.7238 0.2795 0.5895 0.2989 0.2906 0.6601 0.5248 0.3960 0.4801 0.7421 0.6932 0.2705 0.7126 0.7019 0.7158 0.3769 0.1207 0.1126 0.2184 0.4456 0.7244 0.2648 0.0721 0.4925 0.7100 0.1611 0.5592 0.0776 0.7198 0.5297 0.7228 0.5196 0.1751 0.4677 0.0904 0.2573 0.2990 0.2424 0.4014 0.0855 0.3386 0.4791 0.6393 0.5897 0.7493 0.0407 0.5379 0.0665 0.4456 0.1008 0.5415 0.0757 0.4306 0.5816 0.7357 0.6056 0.2368 0.1912 0.5593 0.5721 0.5069 0.4111 0.5437 0.6947 0.7429 0.6612 0.3864 0.7062 0.3757 0.3193 0.6181 0.2694 0.3505 0.7448 0.7148 0.7340 0.4242 0.1670 0.7443 0.0936 0.7089 0.7251 0.6197 0.4068 0.5196 0.5504 0.6932 0.3743 0.1463 0.7238 0.5742 0.3455 0.3535 0.3140 0.3322 0.7457 0.4481 0.4971 0.5871 0.0938 0.3504 0.5942 0.5985 0.7191 0.7172 0.7455 0.6964 0.7448 0.6800 0.7474 0.7498 0.6716 0.4675 0.7396 0.5614 0.7271 0.6219 0.6546 0.7408 0.5063 0.7489 0.7500 0.7000 0.6850 0.5258 0.5591 0.5283 0.3158 0.3038 0.6810 0.5579 0.6547 0.1800 0.4844 0.2598 0.1483 0.1930 0.5541 0.0244 0.3201 0.0387 0.4936 0.0801 0.0018 0.2933 0.4886 0.4612 0.7491 0.5633 0.6405 0.2027 0.7086 0.7199 0.3707 0.7178 0.5686 0.5114 0.3882 0.4819 0.4629 0.1928 0.2071 0.2927 0.1586
0.8564 0.8360 0.8571 0.8510 0.8315 0.8216 0.8202 0.8412 0.8429 0.7007 0.8377 0.7946 0.8517 0.7275 0.5681 0.3018 0.8398 0.4369 0.7417 0.4602 0.4503 0.7953 0.6884 0.5673 0.6488 0.8520 0.8188 0.4258 0.8322 0.8249 0.8344 0.5475 0.2154 0.2024 0.3586 0.6165 0.8402 0.4188 0.1345 0.6600 0.8304 0.2775 0.7173 0.1441 0.8371 0.6926 0.8391 0.6838 0.2980 0.6373 0.1658 0.4092 0.4604 0.3902 0.5729 0.1576 0.5058 0.6478 0.7800 0.7419 0.8567 0.0783 0.6995 0.1246 0.6165 0.1831 0.7025 0.1407 0.6020 0.7355 0.8477 0.7543 0.3830 0.3210 0.7174 0.7278 0.6728 0.5827 0.7044 0.8198 0.8525 0.7960 0.5574 0.8278 0.5462 0.4840 0.7640 0.4245 0.5191 0.8538 0.8337 0.8466 0.5957 0.2863 0.8534 0.1712 0.8296 0.8407 0.7652 0.5784 0.6839 0.7100 0.8188 0.5448 0.2553 0.8398 0.7295 0.5135 0.5223 0.4779 0.4988 0.8543 0.6189 0.6641 0.7398 0.1714 0.5189 0.7454 0.7488 0.8366 0.8353 0.8542 0.8210 0.8538 0.8095 0.8555 0.8570 0.8036 0.6371 0.8503 0.7191 0.8420 0.7668 0.7913 0.8511 0.6722 0.8564 0.8571 0.8235 0.8130 0.6892 0.7172 0.6913 0.4800 0.4660 0.8103 0.7162 0.7913 0.3051 0.6526 0.4124 0.2583 0.3235 0.7131 0.0477 0.4850 0.0745 0.6610 0.1483 0.0035 0.4536 0.6565 0.6313 0.8566 0.7206 0.7809 0.3371 0.8295 0.8372 0.5409 0.8357 0.7250 0.6767 0.5593 0.6504 0.6328 0.3233 0.3432 0.4529 0.2738
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62
6 6 6 1 6 16 6 7 1 6 8 6 6 7 7 6 6 6 1 6 6 6 6 6 6 8 6 8 6 8 6 6 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 1.00783 12.00000 31.97207 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
10824.1485 24838.4578 28856.8982
0.99995 0.00106 0.00963 -0.00109 1.00000 0.00268 -0.00962 -0.00269 0.99995
1
0.00800 0.00349 0.00300
0.16673 0.07266 0.06254
12.33 24.87 38.62 54.52 65.93 74.63 74.95 105.85 107.20 109.93 126.69 147.92 152.95 155.31 182.62 212.02 234.39 249.72 261.37 282.79 290.95 306.12 327.79 329.79 355.35 372.78 376.74 391.87 400.55 421.36 446.43 454.29 463.86 468.07 510.16 542.79 561.18 566.45 573.59 586.51 684.38 702.37 711.76 726.10 752.89 770.71 831.08 839.69 849.30 867.75 886.81 929.72 960.85 974.88 977.42 999.38 1004.87 1031.65 1039.96 1066.22 1087.78 1112.13 1165.08 1176.95 1218.42 1231.51 1247.15 1255.29 1297.30 1317.54 1352.66 1371.60 1378.15 1410.38 1416.89 1488.65 1509.29 1526.36 1545.53 1568.58 1589.13 1593.24 1652.36 1668.18 1677.14 1711.56 1717.47 1726.95 1752.73 1759.42 1781.71 1812.22 1826.66 1845.18 1856.20 1860.29 1862.42 1862.62 1875.12 1878.28 1911.03 1922.48 1933.57 1939.86 1957.62 1962.70 1986.64 2009.73 2016.49 2018.46 2020.91 2084.55 2088.48 2109.81 2131.01 2152.36 2167.68 2186.08 2196.43 2200.01 2235.60 2253.13 2261.13 2308.15 2320.00 2324.05 2334.63 2343.14 2346.67 2357.35 2358.54 2363.21 2365.52 2370.08 2371.48 2372.93 2375.72 2376.55 2376.67 2381.55 2389.83 2390.49 2391.69 2451.90 2525.36 2578.51 2592.27 2613.76 2680.27 2821.25 2838.57 4594.77 4600.10 4604.90 4607.56 4616.73 4619.13 4621.32 4621.35 4622.82 4651.36 4651.94 4688.08 4692.80 4702.11 4702.59 4708.46 4716.06 4716.89 4730.85 4731.60 4751.13 4761.89 4764.81 4776.46 4781.05 4901.77 4933.22 5526.69 5582.46
0.546373
0.577462
0.578406
0.480714
-1860.351412
-1860.320323
-1860.319379
-1860.417071
3.276606D-04
MUNgauss
RevisionA2.0
retrievium
18-Dec-2020
DUDE CC[C@H](C)Sc1[nH]c(=O)c2c(n1)NC3=C([C@@H]2c4cc(c(c(c4)OC)OC)OC)C(=O)CCC3 C35449864
RHF
6-31G(d)
(6D,10F)
C1
471.182793
|X|Y|Z|
109.191465 65.189393 45.439829
68.643714
20
|36.858105|
|12.465359|36.858105|
|7.369471|12.402274|36.858105|
|6.982325|8.833881|17.635759|0.500000|
|4.866251|7.503950|12.476074|0.246317|36.858105|
|5.758243|6.956931|10.357434|0.222815|6.850517|388.023441|
|4.154863|4.608000|6.748245|0.190409|5.529929|76.883423|36.858105|
|3.401644|3.615666|4.675721|0.129079|4.096516|51.649343|14.140001|53.358707|
|3.346841|3.521656|4.323714|0.114752|3.778287|50.338391|9.307712|25.965156|0.500000|
|2.791308|2.914835|3.629650|0.103755|3.342391|34.048238|7.848586|18.485734|0.259368|36.858105|
|2.463592|2.537855|3.025707|0.085131|2.817277|27.916718|5.457368|11.544309|0.218725|15.901645|73.516695|
|2.701308|2.835961|3.589102|0.107288|3.388748|30.186594|6.977824|10.920193|0.161700|13.216068|14.288549|36.858105|
|3.087524|3.303116|4.408027|0.138695|4.143458|34.520484|8.462864|9.887894|0.146141|7.972885|9.603817|14.098329|36.858105|
|3.895155|4.322880|6.436457|0.208750|5.640257|50.599799|14.893244|11.230687|0.165228|6.734281|8.422299|7.857498|13.897436|53.358707|
|2.818896|2.998480|3.862006|0.124833|3.769962|27.248764|5.506768|6.496558|0.106058|5.200761|7.177256|8.059561|13.880256|11.291738|53.358707|
|2.384460|2.478083|3.027201|0.095200|2.962977|21.722746|4.118003|5.300209|0.090118|4.527462|6.705452|6.854968|7.953993|7.251629|18.755894|36.858105|
|2.181204|2.249330|2.701675|0.082502|2.632315|20.333375|3.862447|5.372459|0.092349|4.998345|7.726598|7.696418|6.842833|6.265757|10.964213|14.233308|36.858105|
|2.244322|2.329536|2.822891|0.083989|2.735732|22.578420|4.491328|6.851277|0.115467|7.441591|11.469911|12.591033|7.589816|6.812157|9.075253|7.604146|12.516459|36.858105|
|2.145036|2.185098|2.587244|0.076560|2.462327|21.015597|4.027950|6.388678|0.112062|6.995867|12.313235|8.988897|5.827078|5.795557|6.974882|5.841623|8.963147|17.614491|0.500000|
|2.009012|2.122234|2.543348|0.073589|2.559953|20.208980|3.800817|5.815260|0.102863|5.870650|10.014027|7.527106|5.468962|5.549099|6.831277|5.490037|7.551916|12.428740|0.249720|36.858105|
|1.792233|1.872888|2.186108|0.062584|2.188959|17.447853|3.117796|4.855064|0.090227|4.729581|9.036024|5.231864|4.002704|4.377105|5.064168|4.100255|5.443723|7.557478|0.208008|13.779851|36.858105|
|1.636619|1.723279|1.988508|0.056216|2.027755|15.680175|2.694700|4.114069|0.078416|3.741040|7.123655|3.967751|3.265872|3.746646|4.210421|3.326390|4.073081|5.006070|0.134582|7.926862|13.697495|36.858105|
|1.639749|1.753018|2.032946|0.057073|2.124214|15.781107|2.682168|3.985521|0.075750|3.478659|6.332620|3.733934|3.224224|3.763416|4.214855|3.243974|3.761453|4.412503|0.111524|6.841027|7.902164|13.711458|36.858105|
|1.803448|1.955472|2.315006|0.065169|2.462981|17.773641|3.089066|4.480000|0.082979|3.876810|6.660730|4.365059|3.869030|4.445063|5.094499|3.822274|4.293474|4.995041|0.117032|7.921592|6.870344|7.934623|13.687790|36.858105|
|2.017195|2.181376|2.642750|0.075674|2.767527|20.464009|3.775804|5.483085|0.097265|5.004687|8.131522|6.249738|5.301391|5.620714|6.874041|5.156667|6.002542|7.506954|0.156186|13.710918|7.938993|6.868427|7.902664|13.731066|36.858105|
|1.752545|1.925794|2.267040|0.063160|2.482638|16.979182|2.844946|3.992802|0.074900|3.262434|5.529834|3.597110|3.398399|4.096777|4.565232|3.324093|3.506885|3.843936|0.091816|5.194808|4.623627|5.294340|8.214494|14.114249|7.876954|73.516695|
|1.885351|2.107876|2.515937|0.070087|2.847402|18.264354|3.040936|4.088177|0.075769|3.217563|5.248839|3.619502|3.642721|4.493523|5.011563|3.501067|3.478525|3.667183|0.086024|4.525095|3.802511|3.991365|5.270295|8.023594|6.751393|24.268202|36.858105|
|1.492351|1.596475|1.823076|0.050802|1.919151|13.993457|2.298704|3.370002|0.065277|2.829592|5.172791|2.963941|2.649550|3.198098|3.501842|2.670623|2.992305|3.357476|0.087073|4.599700|5.215761|7.989494|14.033216|7.995326|5.220735|12.750276|4.705030|73.516695|
|1.469923|1.577371|1.788002|0.049190|1.885767|13.881824|2.234574|3.304972|0.065317|2.716390|5.043106|2.731480|2.450243|3.037704|3.168480|2.355228|2.595985|2.959538|0.077915|3.859963|4.308200|5.995143|8.162048|5.946262|4.291034|10.349366|4.154230|24.114280|36.858105|
|1.486657|1.553045|1.761306|0.049588|1.786470|13.859795|2.312985|3.524205|0.068735|3.111347|6.064236|3.187586|2.687838|3.173533|3.484245|2.746260|3.283771|3.858455|0.109090|5.205086|7.883030|14.150909|8.222254|5.295496|4.626415|7.307319|3.218484|12.715731|5.899591|73.516695|
|1.447391|1.492415|1.677694|0.047445|1.674733|13.261684|2.202446|3.380723|0.066447|2.997184|5.982516|3.029298|2.538098|3.004283|3.284741|2.616874|3.163979|3.689026|0.110606|4.537625|6.762444|8.025908|5.270463|3.991825|3.805229|5.720084|2.668118|8.342696|4.186109|24.189959|36.858105|
|1.891149|1.927078|2.243114|0.067763|2.192050|16.721049|2.991160|4.204798|0.075405|3.785058|6.297768|4.977258|4.480793|4.633247|6.967700|7.800781|12.887391|7.419240|0.195365|5.931316|5.122781|3.963910|3.544710|3.785695|4.754434|5.565207|3.016344|5.146352|2.474673|5.926737|3.319287|36.858105|
|1.764123|1.787816|2.054949|0.061216|2.000821|15.612282|2.749970|3.987653|0.072980|3.641578|6.381410|4.472130|3.827575|4.097686|5.521421|5.403994|8.142422|6.711481|0.205287|5.815833|5.734368|4.333203|3.642564|3.665291|4.403193|5.306663|2.782511|5.298906|2.547655|6.665563|3.912322|15.901808|73.516695|
|1.783354|1.814446|2.084299|0.063311|2.055260|15.020785|2.592271|3.525350|0.064039|3.002399|4.972563|3.788372|3.710317|4.052355|6.110842|6.652196|7.444310|4.837262|0.126076|4.236421|3.772362|3.191514|2.993531|3.211656|3.806461|4.984968|2.774900|4.541203|2.193306|4.944287|2.749309|12.565141|14.305072|36.858105|
|1.946458|1.969025|2.265253|0.070309|2.214013|15.874177|2.723318|3.575861|0.064502|2.943129|4.740095|3.734031|3.937758|4.381222|6.946842|7.579390|6.584847|4.324086|0.110702|3.625228|3.136586|2.688403|2.585623|2.841633|3.387794|4.549611|2.630050|3.977061|1.966942|4.185585|2.316049|7.561001|9.491981|12.485015|36.858105|
|2.206040|2.274200|2.693993|0.085048|2.663704|18.494678|3.255695|4.124904|0.072739|3.346527|5.175018|4.456293|5.129609|5.538420|10.638235|12.631193|7.562031|4.852759|0.115467|4.001709|3.258111|2.787264|2.757476|3.170080|3.921548|5.126802|3.076609|4.191996|2.081570|4.233425|2.285578|6.492928|8.207146|7.588613|12.481098|36.858105|
|17.558286|8.825146|5.426815|0.141839|4.069766|31.820877|3.378907|3.919306|0.079788|2.421533|3.875166|2.342447|2.626387|4.344088|3.317695|2.106727|1.942474|1.990520|0.053191|1.803755|1.627980|1.499664|1.503897|1.641304|1.813019|2.851598|1.719378|2.454565|1.364907|2.441716|1.340138|1.710728|2.854623|1.626032|1.767594|1.977095|0.500000|
|17.582768|8.737645|6.583049|0.172285|4.385544|45.778447|4.491689|5.127054|0.105351|3.025315|4.771714|2.843061|3.178733|5.439039|3.841410|2.401298|2.233072|2.338180|0.062761|2.078396|1.862726|1.691251|1.679658|1.835371|2.059476|3.139136|1.877515|2.707638|1.505021|2.735787|1.506276|1.933153|3.231783|1.799439|1.945338|2.185526|0.301990|0.500000|
|17.542083|8.786444|6.722936|0.207794|4.573278|36.143839|4.079314|4.508698|0.088233|2.785475|4.338022|2.770266|3.225185|5.487209|4.103346|2.547022|2.293924|2.313988|0.061337|2.042191|1.812583|1.644618|1.642689|1.810335|2.040925|3.114908|1.888226|2.648214|1.454329|2.649894|1.454926|1.988138|3.269225|1.890283|2.097157|2.385735|0.301807|0.301707|0.500000|
|8.820927|17.519873|8.819247|0.173794|6.694492|47.493528|4.243731|4.736194|0.097248|2.792666|4.399084|2.652357|2.997961|5.200656|3.665612|2.261008|2.089397|2.195922|0.057534|2.034593|1.814135|1.684600|1.718271|1.905014|2.097332|3.352800|2.052669|2.800887|1.573040|2.713464|1.464492|1.803736|3.004388|1.690927|1.808863|2.066783|0.212623|0.209143|0.172692|0.500000|
|8.888011|17.532414|8.986392|0.207412|7.260445|36.792141|3.871640|4.222980|0.083134|2.593296|4.043937|2.583433|3.021674|5.209045|3.870450|2.371485|2.131697|2.168873|0.056292|1.993859|1.762862|1.633971|1.673350|1.869776|2.069206|3.309199|2.056177|2.726886|1.511046|2.623404|1.414389|1.842934|3.027165|1.760540|1.923017|2.224585|0.215256|0.172963|0.211472|0.304868|0.500000|
|4.610743|6.834717|8.862955|0.213492|17.534264|36.188876|4.384637|4.621237|0.087243|2.891346|4.400826|3.002180|3.664812|6.401962|4.800999|2.824676|2.475594|2.503026|0.062770|2.347747|2.021475|1.883785|1.978025|2.284476|2.542054|4.133776|2.685788|3.204248|1.761013|2.967712|1.567748|2.092251|3.379205|2.000719|2.181521|2.626112|0.110812|0.110616|0.124892|0.163178|0.217611|0.500000|
|4.025660|5.468516|8.787297|0.212268|17.610753|45.723766|6.215615|6.170501|0.111970|3.758538|5.509109|3.920232|4.940042|9.221624|6.059959|3.384764|2.979047|3.114253|0.076047|2.936468|2.454171|2.265229|2.399472|2.850771|3.255064|5.122420|3.384485|3.808357|2.089036|3.493451|1.822564|2.428779|3.905722|2.257614|2.418370|2.972136|0.094558|0.105049|0.108619|0.138733|0.145115|0.301450|0.500000|
|4.466044|6.857793|8.789394|0.173297|17.563034|45.028655|4.811730|5.185445|0.101504|3.106738|4.773753|3.050732|3.550847|6.238866|4.358657|2.603590|2.372581|2.504262|0.063305|2.395309|2.082552|1.955780|2.058353|2.363258|2.595636|4.280088|2.738713|3.344142|1.875435|3.088089|1.624938|2.005959|3.298611|1.876331|1.990307|2.346496|0.108102|0.114191|0.111488|0.199238|0.182578|0.300891|0.300776|0.500000|
|3.032782|3.246135|4.212365|0.142130|4.119066|27.550373|5.207727|5.804763|0.097234|4.330961|6.135705|5.902249|9.455959|10.865638|26.068036|9.239046|5.859616|4.952060|0.113224|3.998981|3.122075|2.681900|2.717093|3.244724|4.129282|5.367743|3.390298|4.119225|2.119568|4.031339|2.144910|4.235695|6.110144|3.987449|4.784409|7.434268|0.072478|0.082476|0.091860|0.079257|0.086931|0.110175|0.133807|0.094337|0.500000|
|1.757727|1.810434|2.089934|0.060074|2.055788|16.783166|2.971800|4.682477|0.088122|4.588527|9.186067|4.908333|3.732982|4.125524|4.709723|3.864446|5.208543|7.081072|0.233562|8.982539|17.797734|8.880736|5.629127|4.956986|5.662451|6.524812|3.144805|7.484685|3.642566|12.554455|7.537623|5.205982|11.356544|3.756053|3.102692|3.116146|0.044452|0.051076|0.049504|0.048669|0.047195|0.052863|0.063124|0.054319|0.081415|0.500000|
|2.194708|2.408127|2.987859|0.086265|3.189288|22.583760|4.253828|5.837789|0.100898|5.064997|7.691077|6.709563|6.405732|6.676850|8.562948|5.921907|6.145034|6.990212|0.141294|8.927357|5.655911|4.953931|5.630948|8.905750|17.772476|12.574935|7.539722|7.496283|3.628051|6.526115|3.145350|4.562317|7.126965|3.804946|3.565977|4.396791|0.054362|0.061665|0.061938|0.063691|0.063678|0.081228|0.107441|0.081544|0.140881|0.124680|0.500000|
|2.081999|2.365040|2.883654|0.079362|3.329280|21.128607|3.551637|4.719989|0.086782|3.628357|5.782312|4.025637|4.122960|5.214337|5.442516|3.605555|3.529254|3.838795|0.089231|4.586683|3.744113|3.786050|4.748278|7.014313|6.750034|16.437922|17.549706|7.352906|3.847968|5.432105|2.578677|2.957198|4.835417|2.679068|2.591089|3.083341|0.052328|0.057648|0.057526|0.064140|0.063613|0.085313|0.113257|0.089127|0.102338|0.086859|0.227759|0.500000|
|1.900864|2.112283|2.528262|0.071816|2.842620|17.954191|3.022850|3.988926|0.072949|3.161174|5.083839|3.710638|3.841139|4.625898|5.599000|3.992393|3.855284|3.842047|0.088693|4.595838|3.758716|3.808155|4.787209|7.059926|6.758363|16.449354|17.552326|7.445800|3.578272|5.460242|2.595884|3.335138|5.317232|3.136518|2.987045|3.573163|0.048061|0.052293|0.053494|0.056396|0.057608|0.075669|0.093961|0.074325|0.105418|0.087178|0.225770|0.299138|0.500000|
|1.772547|1.987242|2.329824|0.064323|2.666220|16.679298|2.678058|3.578982|0.067522|2.755446|4.556662|3.019021|3.065359|3.902010|4.231355|2.963249|2.920334|3.036049|0.073233|3.623435|3.190644|3.415538|4.425474|5.885053|4.915367|17.030389|17.636667|7.633429|3.943004|5.118165|2.408861|2.602696|4.313206|2.449268|2.341247|2.693784|0.045301|0.048781|0.049127|0.054143|0.054342|0.070817|0.086404|0.072363|0.081629|0.075246|0.146974|0.299974|0.300007|0.500000|
|1.552275|1.683493|1.919564|0.052375|2.049795|14.938433|2.395037|3.526842|0.069788|2.851060|5.218851|2.842667|2.577579|3.236910|3.298245|2.398101|2.599098|2.982624|0.077244|3.852231|4.054032|5.215989|7.216522|6.236959|4.481305|11.824827|4.751072|16.448328|17.563783|8.471111|3.586455|2.416135|4.343101|2.145204|1.956098|2.106112|0.039958|0.044078|0.042455|0.046835|0.044759|0.052855|0.063497|0.057025|0.061501|0.094722|0.107913|0.125032|0.108149|0.126359|0.500000|
|1.364881|1.461960|1.640285|0.045096|1.733551|12.588202|1.992402|2.910818|0.057813|2.354066|4.346908|2.372812|2.165945|2.714694|2.835660|2.113244|2.300668|2.556089|0.067770|3.209949|3.539995|4.682886|5.909119|4.662979|3.532528|8.597331|3.658670|16.900427|17.618185|8.658600|3.673857|2.225903|4.070435|2.013427|1.813662|1.904435|0.035407|0.038688|0.037516|0.040570|0.039115|0.045338|0.052902|0.048058|0.053312|0.085922|0.085749|0.093146|0.089030|0.100513|0.299673|0.500000|
|1.466848|1.562747|1.764453|0.048501|1.836061|13.909422|2.239540|3.376867|0.067477|2.803023|5.355938|2.750972|2.421314|3.003000|3.085874|2.296705|2.564548|2.985070|0.080465|3.853700|4.511930|6.321583|7.221654|5.170611|4.032809|8.361524|3.555223|16.448069|17.574730|12.147996|4.829438|2.454205|4.571545|2.146336|1.921220|2.015640|0.037845|0.042004|0.040236|0.043389|0.041341|0.047401|0.056116|0.050788|0.057147|0.108704|0.094188|0.094704|0.087082|0.092473|0.298725|0.299678|0.500000|
|1.445550|1.483038|1.667727|0.047587|1.657846|13.054551|2.181253|3.311242|0.064353|2.949502|5.775159|3.072114|2.583803|3.018919|3.405727|2.786142|3.435736|3.877673|0.118129|4.626519|6.791581|7.090682|4.808006|3.824435|3.776672|5.477548|2.602313|7.455215|3.608098|16.439946|17.570255|3.784814|8.321864|3.104122|2.541143|2.451511|0.037150|0.041695|0.040638|0.040164|0.039139|0.043331|0.050099|0.044347|0.061580|0.226082|0.087473|0.069460|0.071904|0.065020|0.087810|0.089504|0.109779|0.500000|
|1.513427|1.554298|1.747439|0.049294|1.727495|14.050530|2.341802|3.674946|0.072931|3.303040|6.864125|3.224522|2.645937|3.143807|3.345853|2.628698|3.185057|3.858934|0.119631|4.590249|6.752093|7.000273|4.737860|3.778073|3.737659|5.420052|2.575224|7.325415|3.868509|16.428071|17.562974|3.253902|6.797275|2.653391|2.276142|2.262558|0.038846|0.044073|0.042127|0.042460|0.040639|0.044616|0.052068|0.046633|0.060526|0.227686|0.086698|0.070658|0.069215|0.064380|0.095472|0.093381|0.126480|0.299051|0.500000|
|1.342924|1.382758|1.539494|0.043372|1.540164|12.095394|1.970345|2.995209|0.059486|2.585706|5.119720|2.590088|2.221597|2.677538|2.893063|2.285910|2.692497|3.051054|0.090464|3.631543|4.921754|5.890464|4.426980|3.416141|3.192868|5.117543|2.409286|7.616468|3.975140|17.016664|17.638893|2.834883|5.832165|2.429630|2.073416|2.037375|0.034740|0.038759|0.037422|0.037832|0.036520|0.040224|0.046245|0.041735|0.053194|0.146945|0.075267|0.064458|0.064895|0.061570|0.093300|0.101001|0.128590|0.299774|0.299927|0.500000|
|1.654379|1.668365|1.887981|0.056986|1.851575|13.663832|2.312623|3.176014|0.058567|2.685949|4.550295|3.253150|3.139772|3.533874|4.945530|4.930086|5.562731|4.070259|0.111874|3.645209|3.427185|2.953270|2.728029|2.834738|3.246442|4.434288|2.437478|4.220292|2.053359|4.725248|2.693613|8.993870|13.564095|17.600665|8.753095|5.497667|0.042205|0.046499|0.048632|0.043385|0.044991|0.050166|0.055836|0.047340|0.091689|0.097685|0.088482|0.065300|0.075127|0.060703|0.055284|0.052825|0.056244|0.085760|0.071931|0.066892|0.500000|
|1.705660|1.756063|2.018276|0.060762|2.028133|14.438667|2.469096|3.344867|0.061018|2.823718|4.687351|3.527920|3.482566|3.852597|5.741316|5.935073|6.386228|4.451539|0.112607|4.233078|3.777120|3.313820|3.198046|3.461660|4.002149|5.435879|3.024867|4.882844|2.315306|5.102017|2.765895|9.015317|11.727619|17.495036|8.833198|6.837105|0.043346|0.047552|0.049923|0.045671|0.047608|0.055068|0.062274|0.051663|0.105156|0.100848|0.110909|0.079143|0.097059|0.074188|0.062723|0.059273|0.062033|0.086299|0.072744|0.068232|0.302295|0.500000|
|2.006526|1.994884|2.276099|0.071116|2.176127|16.068264|2.746843|3.620942|0.065529|2.969660|4.800963|3.702655|3.874892|4.371475|6.548063|6.676389|6.048139|4.186051|0.111679|3.382142|2.973360|2.524986|2.390551|2.590083|3.080924|4.134876|2.375483|3.689592|1.850433|3.979843|2.241582|6.798790|9.171240|8.870147|17.535287|8.883077|0.050576|0.056048|0.060489|0.050730|0.053812|0.059369|0.065210|0.054329|0.126462|0.083750|0.089317|0.065927|0.073336|0.059067|0.051131|0.047410|0.050730|0.068261|0.062024|0.055867|0.213230|0.173578|0.500000|
|1.824653|1.845654|2.093615|0.064661|2.063974|14.441151|2.410075|3.144003|0.057440|2.534123|4.122314|3.108647|3.304114|3.830368|5.684903|5.534435|4.850013|3.496220|0.090488|3.072997|2.722522|2.404942|2.344668|2.558818|2.952312|4.193634|2.440681|3.682225|1.828242|3.804907|2.102065|5.505981|7.626695|8.817937|17.561235|8.850073|0.046438|0.050266|0.054661|0.047171|0.050593|0.057223|0.062084|0.051768|0.113798|0.074569|0.086312|0.066212|0.077139|0.061389|0.050463|0.047321|0.049378|0.063804|0.057004|0.052987|0.208815|0.213196|0.303172|0.500000|
|2.088560|2.189243|2.588520|0.080469|2.640683|17.531539|3.027241|3.825085|0.068065|3.067846|4.786415|3.988827|4.566824|5.094902|9.097950|8.992677|6.207210|4.334603|0.102081|3.871384|3.162728|2.788448|2.839781|3.323290|4.018701|5.513126|3.384998|4.357069|2.144458|4.223200|2.239546|5.538553|7.330436|6.654307|8.814742|17.501932|0.052336|0.057016|0.062181|0.055628|0.060124|0.073076|0.082612|0.064950|0.182667|0.082112|0.127454|0.092236|0.113302|0.082499|0.060438|0.054747|0.056896|0.066346|0.060840|0.055764|0.137392|0.195305|0.174019|0.217840|0.500000|
|2.386350|2.441143|2.882207|0.093222|2.810649|19.173766|3.307332|4.064244|0.071885|3.177349|4.875830|4.096033|4.958217|5.705693|10.142567|8.935179|5.736239|4.137518|0.101038|3.412937|2.828617|2.452029|2.435639|2.783016|3.374218|4.592760|2.794082|3.759732|1.900909|3.778710|2.051486|4.920260|6.724846|5.523705|8.830361|17.532239|0.059205|0.064970|0.072982|0.060718|0.066821|0.078107|0.085872|0.067814|0.231364|0.075842|0.105901|0.079124|0.088638|0.069067|0.053785|0.048574|0.051286|0.060508|0.056902|0.051279|0.123243|0.138981|0.219361|0.208264|0.303401|0.500000|
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