Version2.4 2021-05-22T00:53:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(ccc1NC(=O)CNC(=O)C2=NN([C@H](C2)C(=O)N)c3ccccc3)Br C45947480 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1NC(=O)CNC(=O)C2=NN([C@H](C2)C(=O)N)c3ccccc3)Br C01[X(C20H20Br1N5O3)] 141 C1 490 O=C(Nc1ccc(cc1C)Br)CNC(=O)C1=NN([C@H](C1)C(=O)N)c1ccccc1 O=C(Nc1ccc(cc1C)Br)CNC(=O)C1=NN([C@H](C1)C(=O)N)c1ccccc1 Cc1cc(Br)ccc1NC(=O)CNC(=O)C2=NN([C@H](C2)C(N)=O)c3ccccc3 InChIKey=WLOPYTFXNOWJJY-QGZVFWFLSA-N InChI=1S/C20H20BrN5O3/c1-12-9-13(21)7-8-15(12)24-18(27)11-23-20(29)16-10-17(19(22)28)26(25-16)14-5-3-2-4-6-14/h2-9,17H,10-11H2,1H3,(H2,22,28)(H,23,29)(H,24,27)/t17-/m1/s1 InChI=1/C20H20BrN5O3/c1-12-9-13(21)7-8-15(12)24-18(27)11-23-20(29)16-10-17(19(22)28)26(25-16)14-5-3-2-4-6-14/h2-9,17H,10-11H2,1H3,(H2,22,28)(H,23,29)(H,24,27)/t17-/m1/s1/f/h23-24H,22H2 Cc1cc(ccc1NC(=O)CNC(=O)C2=NN([C@H](C2)C(=O)N)c3ccccc3)Br C01[X(C20H20Br1N5O3)] 141 C01 490 O=C(Nc1ccc(cc1C)Br)CNC(=O)C1=NN([C@H](C1)C(=O)N)c1ccccc1 O=C(N[C]1[CH][CH][C]([CH][C]1C)Br)CNC(=O)C1=NN([C@H](C1)C(=O)N)[C]1[CH][CH][CH][CH][CH]1 C[C]1[CH][C](Br)[CH][CH][C]1NC(=O)CNC(=O)C2=NN([C]3[CH][CH][CH][CH][CH]3)[C@H](C2)C(N)=O InChIKey=WLOPYTFXNOWJJY-QGZVFWFLSA-N InChI=1S/C20H20BrN5O3/c1-12-9-13(21)7-8-15(12)24-18(27)11-23-20(29)16-10-17(19(22)28)26(25-16)14-5-3-2-4-6-14/h2-9,17H,10-11H2,1H3,(H2,22,28)(H,23,29)(H,24,27)/t17-/m1/s1 InChI=1/C20H20BrN5O3/c1-12-9-13(21)7-8-15(12)24-18(27)11-23-20(29)16-10-17(19(22)28)26(25-16)14-5-3-2-4-6-14/h2-9,17H,10-11H2,1H3,(H2,22,28)(H,23,29)(H,24,27)/t17-/m1/s1/f/h23-24H,22H2 2902.1304449336 -3835.7596636 1-A 27588.0432 117 373 490 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06298 -64.47442 -58.61393 -58.61209 -58.61196 -20.55543 -20.53475 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-0.31236 -0.27919 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.10866 0.11966 0.13010 0.14818 0.17134 0.17240 0.18817 0.19537 0.19840 0.20454 0.23961 0.24590 0.25313 0.26070 0.26824 0.27480 0.27611 0.28000 0.29198 0.29453 0.30481 0.30950 0.32161 0.32423 0.32635 0.33320 0.33832 0.35103 0.35746 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2.60294 2.61524 2.62796 2.64056 2.64133 2.65215 2.65804 2.66316 2.66766 2.67441 2.68456 2.71794 2.73213 2.75052 2.76563 2.78184 2.78667 2.82958 2.84414 2.85991 2.86482 2.89215 2.90888 2.92078 2.93914 2.95043 2.96388 2.97584 3.00261 3.00469 3.01069 3.02006 3.03091 3.03871 3.05317 3.06477 3.07864 3.09685 3.10481 3.11151 3.12904 3.13372 3.13489 3.15413 3.17126 3.19780 3.20817 3.23511 3.23895 3.30418 3.33747 3.34781 3.36063 3.38540 3.39777 3.43234 3.44908 3.48363 3.57396 3.65327 3.70633 3.72044 3.81205 3.85511 4.22487 4.34405 4.43560 4.47707 4.50344 4.52511 4.53406 4.54172 4.54859 4.55445 4.56930 4.58405 4.60146 4.67086 4.69282 4.73542 4.75239 4.79254 4.79830 4.80883 4.81102 4.89033 4.93340 5.01203 5.07591 5.13037 5.17366 5.19060 9.28130 74.49188 10.55385 3.4903 -3.7333 -2.1693 5.5521 |XX|YY|ZZ|XY|XZ|YZ| -138.5022 -174.2135 -189.6770 3.2950 -10.2670 -2.5107 |XX|YY|ZZ|XY|XZ|YZ| 28.9621 -6.7493 -22.2128 3.2950 -10.2670 -2.5107 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 449.5111 85.8919 1.2284 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457.07495 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 8.2858 8.9813 18.8216 26.1162 30.6445 38.6824 44.4222 52.9152 67.3658 69.4515 82.5561 91.3867 115.4251 130.2743 148.4785 155.8029 185.3816 205.7352 218.9346 220.9922 233.0163 250.3765 275.2719 304.3610 315.4364 336.5533 340.7774 366.7640 384.1065 396.8751 445.8407 457.1310 491.8977 497.2585 523.2036 537.2462 544.9555 566.4169 582.5426 592.0801 604.8881 620.9289 622.3912 655.5317 677.0574 683.1579 700.9833 748.2355 767.6533 769.8982 806.7454 823.3082 836.5347 844.8083 867.1898 871.1355 928.5251 931.1631 937.0211 955.2692 984.9953 1001.7997 1006.2912 1019.9462 1065.0993 1080.6936 1088.4152 1092.4931 1098.2741 1108.8359 1110.6799 1116.4235 1116.7846 1133.2377 1160.7728 1172.1136 1192.0715 1195.3143 1196.8878 1202.0144 1217.7866 1235.9071 1250.8819 1281.7169 1299.1253 1309.9334 1312.6507 1321.1284 1331.5546 1345.3715 1376.7999 1391.3956 1400.6829 1405.2060 1418.0234 1435.1912 1488.1698 1493.6922 1524.6469 1555.4026 1564.2180 1571.1239 1583.4556 1628.5036 1632.7580 1635.4380 1637.4289 1650.8849 1664.3176 1676.8402 1707.5833 1733.2910 1783.5336 1786.6964 1796.2596 1808.3019 1808.6719 1886.4717 1938.6948 1975.9622 1995.0786 3189.2167 3215.6626 3241.6746 3243.7612 3247.9343 3256.2767 3297.4714 3302.8713 3356.7953 3366.4507 3384.1242 3392.7508 3394.9253 3403.5337 3426.1036 3456.9561 3840.0781 3869.4960 3886.9672 3970.9629 4.1695 6.3378 7.7657 6.4434 4.8543 6.3598 2.7470 4.4964 6.2069 5.7487 7.1816 1.9022 3.6486 4.0870 8.0866 5.1513 4.2337 2.3068 3.6072 1.4701 4.7086 5.2892 3.8585 8.7592 6.1585 6.3738 6.3466 5.5418 4.8869 5.3160 4.5546 3.0108 3.3692 3.1087 2.6777 3.4629 1.7544 3.0375 5.0468 1.1629 1.8232 2.7326 2.1972 2.3325 6.0479 4.7609 6.9036 6.3699 5.9081 2.1311 3.6125 5.0033 4.5751 1.6979 4.9532 2.8802 2.3996 1.7736 5.5384 1.4708 7.6109 1.4473 5.9657 1.3645 4.1285 5.7568 1.9685 1.3925 1.6794 3.2711 1.3932 1.5133 1.7432 2.4521 2.5582 1.5148 2.9918 2.0600 1.8291 2.7092 2.5219 3.5173 2.3825 1.5199 1.8515 1.2253 2.2291 2.2187 2.3906 1.9789 1.0818 1.9942 1.9262 1.8939 1.6761 1.4616 1.9013 1.4115 2.1379 2.6024 2.0026 1.4076 2.3633 2.1441 1.4225 1.1550 1.0461 1.0980 1.5793 2.2768 2.4295 2.7672 5.5897 4.0979 1.2463 4.8957 4.8454 11.2351 10.9454 8.6389 9.8519 1.0458 1.0600 1.0760 1.0970 1.1049 1.0781 1.0986 1.1018 1.0867 1.0913 1.0941 1.0966 1.0929 1.0931 1.0934 1.0939 1.0471 1.0790 1.0778 1.1057 0.0002 0.0003 0.0016 0.0026 0.0027 0.0056 0.0032 0.0074 0.0166 0.0163 0.0288 0.0094 0.0286 0.0409 0.1050 0.0737 0.0857 0.0575 0.1019 0.0423 0.1506 0.1954 0.1723 0.4781 0.3610 0.4254 0.4342 0.4392 0.4248 0.4933 0.5334 0.3707 0.4803 0.4529 0.4319 0.5889 0.3070 0.5742 1.0091 0.2402 0.3930 0.6207 0.5015 0.5905 1.6335 1.3091 1.9987 2.1011 2.0513 0.7443 1.3853 1.9982 1.8864 0.7140 2.1947 1.2878 1.2189 0.9061 2.8651 0.7908 4.3507 0.8558 3.5592 0.8363 2.7595 3.9613 1.3740 0.9793 1.1935 2.3697 1.0126 1.1113 1.2810 1.8554 2.0309 1.2262 2.5049 1.7341 1.5438 2.3062 2.2035 3.1654 2.1964 1.4712 1.8411 1.2387 2.2630 2.2816 2.4974 2.1104 1.2082 2.2747 2.2266 2.2034 1.9858 1.7738 2.4809 1.8555 2.9280 3.7094 2.8869 2.0472 3.4913 3.3502 2.2343 1.8200 1.6525 1.7631 2.5774 3.7719 4.1737 4.8981 10.4761 7.7075 2.3693 9.4320 9.3390 23.5574 24.2382 19.8730 23.1043 6.2673 6.4582 6.6620 6.8007 6.8671 6.7354 7.0381 7.0819 7.2144 7.2870 7.3826 7.4368 7.4215 7.4602 7.5619 7.7020 9.0975 9.5187 9.5938 10.2730 0.2006 0.4855 0.6111 5.6204 4.5759 0.9499 48.4668 6.8432 7.1775 23.5521 24.7439 138.6780 8.0096 5.5790 2.0724 3.4421 12.7722 2.3401 0.4634 0.2057 2.5663 16.5434 17.3692 16.5106 20.5410 5.9696 3.1878 5.9407 10.4450 3.5569 4.6292 0.0039 9.7987 2.0261 15.4148 2.5730 68.5975 6.1702 0.2795 89.9321 18.6309 6.4544 18.7508 10.6292 2.7685 14.7020 1.0594 12.0548 54.1077 13.5099 2.9444 12.1192 31.6872 71.3076 21.4511 10.5438 14.6148 10.1014 18.4472 44.1703 25.9007 10.4997 13.1940 11.3880 55.9959 5.9365 1.6031 0.3734 2.4446 27.4189 0.6054 0.4130 4.0406 3.6314 31.6447 1.6362 3.9270 20.4920 0.9068 14.8381 19.4364 10.4733 7.3197 61.3969 95.5307 47.1943 119.6402 19.8750 88.3197 82.0315 0.7264 253.6802 278.3225 46.0949 39.0878 85.0981 107.9500 48.5240 182.9820 76.0963 59.4819 43.3767 17.1401 11.7082 69.9576 7.3012 7.8962 8.4891 59.4622 400.3297 1109.9213 28.1354 24.6899 92.3857 149.0727 165.4918 21.9140 49.0426 520.7387 148.4778 314.5675 35.7613 38.4275 13.5813 23.5984 20.3074 32.9866 20.9389 6.6579 5.1452 18.1943 50.2354 19.2149 4.0697 2.0541 2.6100 0.5634 83.5864 74.9826 43.4054 58.7944 3.0247 0.4087 1.1995 1.3265 4.2971 2.7241 1.5099 1.0875 1.9103 1.6268 0.7189 0.7243 0.3664 0.4786 2.0302 0.9549 0.1502 1.0295 1.6884 1.2708 3.8231 1.3961 1.7981 1.2114 2.0060 6.1364 2.3842 3.5906 1.6935 2.4299 2.4281 0.1111 0.7791 0.6464 3.8395 3.3844 3.4580 3.7319 6.9526 0.4997 1.6023 0.6031 0.7874 1.3420 5.6694 4.7388 8.0471 2.5687 10.6545 1.5870 1.8136 3.0724 10.4102 0.8264 2.8431 7.3445 6.3075 5.4095 2.8452 1.8744 4.9088 2.6141 2.2959 1.8209 5.7946 58.2417 2.7059 0.6261 2.3426 15.5905 1.8592 0.7371 1.0447 23.4171 10.9002 1.0881 45.2025 6.9852 0.7521 5.9167 12.7718 1.5029 11.6140 27.7167 4.2208 6.3994 76.7937 15.1725 9.6012 42.5001 12.6118 65.8020 3.2774 22.0469 37.0519 9.5873 14.0905 8.0628 7.6938 2.0574 2.8120 11.7613 37.4090 10.9476 8.8660 8.0314 18.6895 7.7139 14.2665 7.6208 14.9819 19.0600 14.6862 74.7927 8.7782 139.2645 64.5305 387.5302 220.7302 51.3678 8.2528 133.3730 96.4199 63.3242 70.8761 52.0497 114.7013 68.1760 67.7417 48.1458 119.1865 80.1965 203.3157 68.8138 61.4691 84.6904 71.8247 109.4485 26.8432 47.0840 50.5894 0.7383 0.7496 0.7375 0.5407 0.7497 0.6820 0.7481 0.6826 0.7051 0.7263 0.7462 0.7155 0.5072 0.5815 0.3752 0.3542 0.7297 0.7480 0.4078 0.6395 0.7439 0.7067 0.7337 0.4015 0.3033 0.3822 0.5516 0.4710 0.7464 0.5457 0.6273 0.7459 0.5394 0.5798 0.2916 0.5808 0.6040 0.4023 0.3672 0.6495 0.6681 0.6404 0.5231 0.6809 0.7307 0.3624 0.2614 0.6072 0.1731 0.7013 0.4507 0.5910 0.0712 0.0686 0.2443 0.0891 0.5313 0.5469 0.2835 0.7339 0.5634 0.7481 0.4091 0.7406 0.2239 0.1529 0.5887 0.5748 0.4077 0.1837 0.5863 0.7458 0.5939 0.1524 0.5083 0.7453 0.1442 0.3182 0.6492 0.6206 0.4646 0.7354 0.3247 0.4127 0.7476 0.7411 0.3731 0.3403 0.7401 0.4523 0.7281 0.2097 0.1294 0.3929 0.2320 0.1812 0.6114 0.3265 0.1475 0.2290 0.5706 0.4581 0.2330 0.4160 0.4959 0.7084 0.7481 0.7414 0.5185 0.3526 0.2306 0.5199 0.5181 0.4535 0.4007 0.4431 0.6866 0.3690 0.2949 0.2136 0.2442 0.0480 0.0312 0.5090 0.6033 0.7311 0.1207 0.6375 0.6723 0.5597 0.7482 0.3924 0.1050 0.2903 0.3504 0.2060 0.2184 0.1484 0.1655 0.1241 0.7424 0.8494 0.8569 0.8489 0.7018 0.8569 0.8110 0.8559 0.8113 0.8270 0.8414 0.8547 0.8342 0.6731 0.7354 0.5456 0.5232 0.8437 0.8558 0.5793 0.7801 0.8532 0.8281 0.8464 0.5730 0.4655 0.5530 0.7110 0.6404 0.8548 0.7061 0.7710 0.8544 0.7008 0.7340 0.4515 0.7348 0.7531 0.5737 0.5371 0.7875 0.8011 0.7808 0.6868 0.8102 0.8444 0.5320 0.4145 0.7556 0.2951 0.8244 0.6213 0.7429 0.1329 0.1284 0.3927 0.1636 0.6940 0.7071 0.4418 0.8465 0.7207 0.8559 0.5807 0.8510 0.3658 0.2652 0.7411 0.7300 0.5793 0.3104 0.7392 0.8544 0.7452 0.2645 0.6740 0.8541 0.2521 0.4828 0.7873 0.7659 0.6344 0.8475 0.4902 0.5843 0.8556 0.8513 0.5434 0.5078 0.8507 0.6229 0.8426 0.3466 0.2291 0.5641 0.3766 0.3069 0.7589 0.4923 0.2571 0.3726 0.7266 0.6283 0.3780 0.5876 0.6630 0.8293 0.8559 0.8515 0.6829 0.5214 0.3747 0.6841 0.6826 0.6240 0.5721 0.6141 0.8142 0.5391 0.4554 0.3521 0.3926 0.0917 0.0605 0.6746 0.7526 0.8447 0.2153 0.7786 0.8040 0.7177 0.8560 0.5637 0.1901 0.4500 0.5189 0.3416 0.3585 0.2584 0.2840 0.2208 0.8522 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 6 6 6 6 6 6 6 7 6 8 6 7 6 8 6 7 7 6 1 6 6 8 7 6 6 6 6 6 6 35 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 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 6518.1406 47954.6934 53310.0829 0.99988 0.01561 0.00051 -0.01561 0.99986 -0.00585 -0.00060 0.00584 0.99998 1 0.01329 0.00181 0.00162 0.27688 0.03763 0.03385 11.92 12.92 27.08 37.58 44.09 55.66 63.91 76.13 96.92 99.93 118.78 131.49 166.07 187.44 213.63 224.17 266.72 296.01 315.00 317.96 335.26 360.24 396.05 437.91 453.84 484.23 490.30 527.69 552.64 571.01 641.47 657.71 707.73 715.44 752.77 772.98 784.07 814.95 838.15 851.87 870.30 893.38 895.48 943.16 974.13 982.91 1008.56 1076.54 1104.48 1107.71 1160.73 1184.56 1203.59 1215.49 1247.69 1253.37 1335.94 1339.74 1348.16 1374.42 1417.19 1441.37 1447.83 1467.48 1532.44 1554.88 1565.99 1571.85 1580.17 1595.37 1598.02 1606.28 1606.80 1630.48 1670.09 1686.41 1715.12 1719.79 1722.05 1729.43 1752.12 1778.19 1799.74 1844.10 1869.15 1884.70 1888.61 1900.81 1915.81 1935.69 1980.91 2001.91 2015.27 2021.78 2040.22 2064.92 2141.14 2149.09 2193.63 2237.88 2250.56 2260.50 2278.24 2343.05 2349.17 2353.03 2355.89 2375.26 2394.58 2412.60 2456.83 2493.82 2566.11 2570.66 2584.42 2601.74 2602.28 2714.21 2789.35 2842.97 2870.47 4588.57 4626.62 4664.05 4667.05 4673.05 4685.06 4744.33 4752.10 4829.68 4843.57 4869.00 4881.41 4884.54 4896.93 4929.40 4973.79 5525.02 5567.34 5592.48 5713.33 0.411809 0.438275 0.439219 0.346879 -3835.347855 -3835.321388 -3835.320444 -3835.412784 3.097099D-04 MUNgauss RevisionA2.1 retrievium 22-May-2021 DUDE Cc1cc(ccc1NC(=O)CNC(=O)C2=NN([C@H](C2)C(=O)N)c3ccccc3)Br C45947480 RHF 6-31G(d) (6D,10F) C1 457.074951 |X|Y|Z| 57.773959 21.388506 154.252520 57.550391 22 6 7 18 4 |36.858105| |12.596057|36.858105| |7.599408|13.742509|36.858105| |5.032802|7.918091|13.792072|36.858105| |4.427488|6.826650|7.950608|13.823923|36.858105| |4.994537|7.883256|6.896591|7.982631|13.764507|36.858105| |7.490008|13.614403|7.951971|6.892572|7.922925|13.723002|36.858105| |6.668695|7.903892|5.183341|4.560981|5.135630|7.780439|13.477742|53.358707| |4.597132|5.171778|3.916639|3.700243|4.332805|6.298017|7.638499|19.079853|36.858105| |3.812786|4.480494|3.647714|3.657654|4.515997|6.545430|6.518001|11.429257|15.911311|73.516695| |3.970374|4.003214|3.140985|2.917310|3.243556|4.229924|5.035591|10.779070|12.519793|14.219642|36.858105| |3.089430|3.171750|2.628494|2.523189|2.835140|3.562541|3.890035|7.145608|7.901947|12.780091|13.301677|53.358707| |2.668265|2.660583|2.254095|2.156860|2.369962|2.860211|3.106338|5.405380|5.169129|8.491364|7.894332|19.333395|36.858105| |2.671761|2.579839|2.180966|2.054321|2.212235|2.633593|2.923873|5.070996|4.498792|7.051966|6.921071|11.551725|15.808559|73.516695| |2.240592|2.266242|1.975933|1.925995|2.122164|2.497807|2.614325|4.297599|3.974497|7.083571|5.081531|10.782046|12.809755|14.496421|36.858105| |2.149094|2.224136|1.963527|1.947056|2.175859|2.551942|2.593597|4.158862|3.887268|7.400839|4.532564|9.356783|7.894010|9.739415|15.158079|53.358707| |1.866211|1.924189|1.729127|1.723677|1.908407|2.183811|2.197843|3.420619|3.052519|5.788503|3.438717|6.311468|5.338434|7.579279|8.907323|19.203921|53.358707| |1.763709|1.784286|1.604044|1.581666|1.723358|1.954708|1.999981|3.115289|2.705712|4.943541|3.133195|5.508262|5.029223|7.783176|8.140377|11.165422|17.857797|36.858105| |1.632589|1.653043|1.497650|1.481851|1.610598|1.810439|1.841546|2.836304|2.422895|4.420767|2.763036|4.685724|4.156996|6.695941|6.010658|8.292372|12.393031|17.586389|0.500000| |1.954542|1.949629|1.725196|1.678513|1.821034|2.092809|2.188653|3.502057|3.063046|5.395163|3.778670|6.807849|7.237314|11.585349|12.662602|11.192386|11.119440|12.307492|0.241259|36.858105| |1.680642|1.688159|1.526435|1.500670|1.619670|1.817864|1.866558|2.873604|2.453158|4.471035|2.794377|4.716170|4.133633|6.652304|5.770769|7.884829|10.467246|12.437368|0.244480|7.565891|36.858105| |1.752378|1.762494|1.592091|1.564295|1.688445|1.896735|1.949515|2.996069|2.568066|4.715204|2.892462|4.871522|4.119608|6.513956|5.472395|7.740914|9.207273|7.969486|0.163876|6.080781|15.953967|73.516695| |1.524608|1.521538|1.386115|1.360872|1.456132|1.616225|1.660850|2.529853|2.112568|3.812342|2.386941|3.870796|3.349807|5.661846|4.306728|5.708730|7.146595|7.841754|0.208761|5.752831|14.081987|15.104714|53.358707| |1.734878|1.811013|1.651992|1.668690|1.855715|2.093143|2.062822|3.127090|2.747801|5.353981|2.938093|5.112230|3.982791|5.861695|5.528862|10.879248|18.586968|7.511255|0.184378|5.145278|6.053057|10.228661|6.194131|36.858105| |1.805697|1.920185|1.760978|1.803063|2.035456|2.297541|2.214769|3.312544|2.935347|5.955021|2.999432|5.144784|3.719908|5.417969|4.712681|9.266202|10.686135|5.026018|0.125820|4.045427|4.363120|7.943805|4.719583|13.656027|36.858105| |1.647102|1.759907|1.640717|1.697019|1.909973|2.109431|2.005890|2.925794|2.519312|5.099908|2.511228|4.095854|2.935184|4.439489|3.515330|6.205631|7.040057|3.859689|0.101589|3.170894|3.563176|6.509440|4.087846|7.928235|13.798021|36.858105| |1.479666|1.564483|1.467163|1.510575|1.676791|1.829306|1.755089|2.548835|2.151832|4.245645|2.174294|3.484605|2.567430|3.988418|3.078858|5.165530|6.186848|3.680000|0.100872|2.939724|3.516791|6.277989|4.200966|6.812387|7.897529|13.731508|36.858105| |1.441052|1.505085|1.403580|1.430302|1.573725|1.723021|1.678285|2.463965|2.077112|4.016826|2.152844|3.478805|2.651860|4.158534|3.279797|5.412060|7.042139|4.389467|0.124521|3.291848|4.241613|7.244385|5.138673|7.911020|6.886806|7.999713|13.789556|36.858105| |1.542478|1.600178|1.475227|1.490468|1.639738|1.818823|1.793081|2.679307|2.289989|4.390860|2.435511|4.052825|3.188039|4.930687|4.189464|7.106043|10.738920|6.444955|0.181691|4.316566|5.871520|9.440816|6.643694|13.690576|7.933806|6.905422|7.912889|13.747374|36.858105| |3.567814|4.588352|6.695342|10.035276|6.687842|4.598172|4.086122|4.268286|2.712854|4.848540|2.261454|2.755156|1.779187|3.032061|1.624761|2.245297|2.028430|1.377215|0.036153|1.443525|1.317023|2.434586|1.642804|1.459958|1.573985|1.507695|1.359295|1.284988|1.323908|2539.412838| |17.506193|8.781588|5.942191|4.314330|3.946493|4.521927|6.537730|8.890360|4.544984|6.536274|4.122476|4.289163|2.754511|4.996063|2.284462|2.945042|2.554792|1.785722|0.046100|2.001622|1.686574|3.096612|2.089230|1.730181|1.785860|1.621599|1.461164|1.431223|1.539298|108.281153|0.500000| |17.541556|8.811533|5.854561|4.287629|3.959001|4.580467|6.700548|9.238186|4.895518|7.095422|4.349564|4.554053|2.884484|5.147402|2.396639|3.106433|2.681300|1.867601|0.047615|2.081098|1.793846|3.353122|2.204811|1.819758|1.885861|1.709166|1.533874|1.498823|1.612525|107.255807|0.301086|0.500000| |17.605548|8.874731|7.363636|4.803229|3.986719|4.175799|5.556957|6.613924|3.658653|5.632258|3.250725|3.588736|2.329880|4.168744|1.996015|2.615295|2.303985|1.610036|0.041624|1.769075|1.546412|2.865210|1.925353|1.585146|1.646414|1.516485|1.372944|1.337763|1.423360|124.236074|0.303319|0.302483|0.500000| |7.076111|8.936598|17.748296|8.955175|5.662949|4.966718|5.650834|5.712884|3.292639|5.441192|2.766707|3.190627|2.051999|3.572283|1.810503|2.436281|2.166774|1.491157|0.038809|1.602087|1.428361|2.645620|1.778337|1.521961|1.610242|1.507652|1.360288|1.306865|1.370762|220.751446|0.155601|0.151697|0.228211|0.500000| |3.543839|4.930866|5.652539|8.928612|17.755829|8.932505|5.643945|5.664379|3.759269|7.250856|2.899028|3.569678|2.216567|3.655720|2.024869|2.862835|2.537960|1.674338|0.043685|1.746946|1.573018|2.910251|1.928444|1.837665|2.036119|1.936395|1.698524|1.579988|1.630690|219.026992|0.089964|0.090224|0.090768|0.124479|0.500000| |4.075249|5.628261|4.972285|5.679226|8.954778|17.820135|8.928630|9.667727|6.893587|14.728427|4.489340|5.355968|3.090432|4.931267|2.726703|3.867044|3.275482|2.113406|0.054275|2.247470|1.943030|3.598435|2.331510|2.318563|2.588989|2.362611|2.016647|1.883237|1.989337|130.278456|0.106351|0.108035|0.096007|0.107894|0.216035|0.500000| |7.761857|7.468572|4.861729|4.072151|4.292863|5.794762|9.285567|26.088761|9.505738|10.893042|7.793475|6.747727|3.946291|6.905526|3.075956|3.939420|3.269546|2.235161|0.056692|2.554168|2.068800|3.813260|2.500044|2.172126|2.257304|1.994917|1.760233|1.720479|1.878880|99.023572|0.235408|0.223542|0.149915|0.114625|0.098431|0.145866|0.500000| |4.235288|4.014143|3.123827|2.825722|3.041451|3.845364|4.739726|9.730926|8.890917|10.987865|17.540409|12.437624|6.948610|12.120560|4.620324|5.496525|4.312715|2.980149|0.072736|3.608344|2.749083|5.129164|3.223520|2.716750|2.735302|2.319878|2.037943|2.032069|2.292714|75.148276|0.121007|0.136348|0.096260|0.077743|0.074998|0.108575|0.216462|0.500000| |3.908260|3.865016|3.051042|2.817803|3.095282|3.963554|4.722464|9.729580|8.893890|10.993942|17.548465|12.453228|7.005017|12.322019|4.631882|5.515704|4.325915|2.959832|0.074130|3.617388|2.603224|4.678727|3.085430|2.715702|2.737301|2.318867|2.034551|2.027475|2.288265|74.961283|0.118658|0.114517|0.089273|0.075304|0.076994|0.115264|0.215108|0.303392|0.500000| |2.928047|3.107026|2.621031|2.574648|2.956842|3.725557|3.880697|6.790639|7.709412|15.187529|9.091499|26.018910|9.333293|10.815683|7.443135|10.633923|6.873705|4.098019|0.096592|4.690320|3.505700|6.532475|3.861750|4.223456|4.468270|3.468934|2.855000|2.792447|3.237226|70.432544|0.081380|0.087222|0.069975|0.064460|0.077075|0.118567|0.124191|0.188363|0.186907|0.500000| |1.951369|1.917507|1.694561|1.634109|1.753606|2.005145|2.123259|3.395415|2.915971|5.043728|3.626033|6.223525|6.531459|11.690599|8.807259|8.339668|8.155503|8.612756|0.183549|17.617730|7.473848|11.169994|8.227648|4.236948|3.456433|2.803967|2.634402|2.935764|3.720840|47.938457|0.055463|0.058236|0.049266|0.043989|0.046492|0.059019|0.069704|0.100398|0.096041|0.116144|0.500000| |1.897908|1.889052|1.675700|1.629983|1.764135|2.020218|2.112120|3.369151|2.900112|5.053114|3.571099|6.162621|6.366863|11.097265|8.886985|8.705325|8.712847|8.658802|0.223259|17.574205|5.668770|8.181464|6.652257|4.430365|3.587495|2.892253|2.711797|3.026722|3.863089|47.859425|0.054565|0.055565|0.047812|0.043323|0.047057|0.060133|0.068816|0.093556|0.099059|0.116230|0.302455|0.500000| |1.468617|1.465103|1.337365|1.313967|1.404755|1.555751|1.596682|2.427983|2.016029|3.624228|2.279147|3.665109|3.182725|5.461228|4.046297|5.302660|6.629266|7.342534|0.230207|5.569986|9.206242|10.791095|26.120374|4.230628|3.240940|2.835796|2.941585|3.619052|4.630385|39.765046|0.041294|0.043088|0.037900|0.035061|0.038021|0.045792|0.049119|0.062376|0.061034|0.074178|0.157333|0.141660|0.500000| |1.470657|1.462454|1.337451|1.311195|1.395394|1.539544|1.584251|2.396767|1.981603|3.569064|2.218416|3.527474|2.992182|5.117195|3.674445|4.884523|5.824732|5.690112|0.150105|4.604361|9.404315|13.630174|26.048503|3.883703|3.100364|2.757234|2.855161|3.429205|4.188663|39.769354|0.040974|0.043507|0.038091|0.035159|0.037712|0.045057|0.048432|0.061878|0.058356|0.071788|0.139246|0.110721|0.309793|0.500000| |1.998485|2.148427|1.953274|2.005192|2.295601|2.638135|2.526341|3.812825|3.478775|7.310770|3.490589|6.133950|4.201765|5.923161|5.136078|10.486969|9.760546|4.649174|0.113580|4.065230|3.991299|7.410758|4.311481|8.902687|17.785529|8.936425|5.635204|4.964508|5.647418|58.644639|0.054756|0.058038|0.050152|0.049135|0.063601|0.084100|0.071050|0.086525|0.086804|0.157231|0.096607|0.100083|0.082276|0.079258|0.500000| |1.668986|1.804492|1.695737|1.773924|2.013112|2.207096|2.063327|2.963653|2.536159|5.222338|2.458115|3.922023|2.732722|4.154923|3.141887|5.394166|5.706857|3.242848|0.085307|2.790900|3.023950|5.593445|3.526683|5.651408|8.985340|17.711020|8.910997|5.670190|4.968381|53.827930|0.045388|0.047891|0.042740|0.043145|0.057318|0.069156|0.055612|0.062926|0.062933|0.092968|0.069520|0.071462|0.068199|0.067010|0.216946|0.500000| |1.392232|1.474856|1.395384|1.443437|1.597022|1.721815|1.643025|2.357559|1.963257|3.863569|1.962304|3.079293|2.251808|3.547611|2.626943|4.271333|4.924236|3.058754|0.084624|2.522678|2.976108|5.339917|3.660787|4.921209|5.627159|8.882348|17.727069|8.902339|5.631081|44.673079|0.038107|0.039942|0.036080|0.036057|0.045219|0.052471|0.045259|0.051350|0.051254|0.069510|0.063807|0.065446|0.071720|0.070373|0.124005|0.214084|0.500000| 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