Version2.0
2020-07-18T04:37:40Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
24-May-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE COc1ccc(c(c1)[C@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)[N+](=O)[O-])Cl)C(=O)C2)OC C21232700
RHF
6-31G(d)
(6D,7F)
COc1ccc(c(c1)[C@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)[N+](=O)[O-])Cl)C(=O)C2)OC
C01[X(C27H24Cl1N3O5)]
174
C1
592
COc1ccc(c(c1)[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)[N+](=O)[O-])Cl)OC
COc1ccc(c(c1)[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)[N+](=O)[O-])Cl)OC
COc1ccc(OC)c(c1)[C@@H]2CC(=O)C3=C(C2)Nc4ccccc4N[C@@H]3c5ccc(Cl)c(c5)[N+]([O-])=O
InChIKey=CSFGTDUANGWSRX-RKOGDMNLSA-N
InChI=1S/C27H24ClN3O5/c1-35-17-8-10-25(36-2)18(14-17)16-11-22-26(24(32)13-16)27(30-21-6-4-3-5-20(21)29-22)15-7-9-19(28)23(12-15)31(33)34/h3-10,12,14,16,27,29-30H,11,13H2,1-2H3/t16-,27+/m0/s1
InChI=1/C27H24ClN3O5/c1-35-17-8-10-25(36-2)18(14-17)16-11-22-26(24(32)13-16)27(30-21-6-4-3-5-20(21)29-22)15-7-9-19(28)23(12-15)31(33)34/h3-10,12,14,16,27,29-30H,11,13H2,1-2H3/t16-,27+/m0/s1
COc1ccc(c(c1)[C@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)[N+](=O)[O-])Cl)C(=O)C2)OC
C01[X(C27H24Cl1N3O5)]
174
C01
592
COc1ccc(c(c1)[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)[N+](=O)[O-])Cl)OC
CO[C]1[CH][CH][C]([C]([CH]1)[C@@H]1CC(=O)C2=C(C1)N[C]1[CH][CH][CH][CH][C]1N[C@@H]2[C]1[CH][CH][C]([C]([CH]1)[N]([O])[O])Cl)OC
CO[C]1[CH][CH][C](OC)[C]([CH]1)[C@@H]2CC(=O)C3=C(C2)N[C]4[CH][CH][CH][CH][C]4N[C@@H]3[C]5[CH][CH][C](Cl)[C]([CH]5)N([O])[O]
InChIKey=CSFGTDUANGWSRX-RKOGDMNLSA-N
InChI=1S/C27H24ClN3O5/c1-35-17-8-10-25(36-2)18(14-17)16-11-22-26(24(32)13-16)27(30-21-6-4-3-5-20(21)29-22)15-7-9-19(28)23(12-15)31(33)34/h3-10,12,14,16,27,29-30H,11,13H2,1-2H3/t16-,27+/m0/s1
InChI=1/C27H24ClN3O5/c1-35-17-8-10-25(36-2)18(14-17)16-11-22-26(24(32)13-16)27(30-21-6-4-3-5-20(21)29-22)15-7-9-19(28)23(12-15)31(33)34/h3-10,12,14,16,27,29-30H,11,13H2,1-2H3/t16-,27+/m0/s1
3921.4186873441
-2033.3996698
1-A
23415.4057
132
460
592
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9.92037
9.4002 7.4763 4.0366
12.6710
|XX|YY|ZZ|XY|XZ|YZ|
-208.8515 -226.6912 -207.5065 -25.0886 8.3740 3.3259
|XX|YY|ZZ|XY|XZ|YZ|
5.4982 -12.3414 6.8432 -25.0886 8.3740 3.3259
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
595.6602 66.5934 53.6511 63.4821 117.8860 53.2780 38.8625 4.3211 40.3250 24.1817
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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0
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505.14045
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
10.6471 14.6371 19.3351 35.1466 42.7074 50.5051 62.5460 64.0931 72.2360 79.6259 93.0555 111.5927 121.2915 132.4910 151.8134 160.1078 164.2436 183.9654 192.3033 219.2462 230.4333 239.5815 260.9021 268.0419 293.7725 298.3470 313.8115 330.8133 337.5507 351.7266 368.9668 395.0596 402.1751 414.1957 428.8684 440.0658 457.2891 473.2388 493.0277 502.6573 521.9375 523.2324 528.9483 551.2569 578.9458 588.8771 596.0598 613.0208 633.0857 636.6973 645.1602 678.0483 682.9693 688.0056 696.5492 729.2451 738.2618 758.8393 775.3181 789.3653 795.4725 805.2268 814.7015 821.3278 833.0678 850.9761 877.5417 888.1592 905.4007 922.5616 926.7326 955.0627 959.9275 968.0527 977.6873 1007.5714 1011.3167 1026.3682 1041.8314 1045.0028 1053.2348 1054.1816 1089.9596 1100.2079 1106.9033 1148.5399 1154.8482 1158.6796 1168.9092 1175.4039 1201.7680 1202.9578 1216.1927 1217.6475 1234.0055 1242.3550 1246.3439 1266.9684 1267.8512 1285.6135 1293.7728 1294.8406 1295.9929 1299.6586 1312.6949 1326.8519 1330.6411 1336.1475 1342.3880 1370.1843 1380.2738 1388.9123 1403.9335 1411.4871 1427.3609 1430.9731 1436.7917 1441.3299 1466.3111 1474.6690 1487.5966 1517.1567 1530.1676 1565.7736 1574.3687 1596.8092 1598.2252 1616.8716 1629.2546 1631.2400 1634.6770 1648.7004 1650.2343 1650.3198 1660.7587 1662.7277 1665.6323 1667.3782 1681.9866 1689.0623 1715.8881 1763.4590 1792.5441 1794.0260 1802.5533 1812.0858 1830.9553 1833.0508 1864.7807 1940.8917 3204.2757 3204.7840 3205.9850 3207.5736 3243.9991 3265.0060 3270.7411 3272.7764 3291.6781 3294.5463 3323.1803 3327.6792 3345.9800 3355.7423 3375.2714 3392.5591 3394.8934 3395.2293 3410.4265 3411.3071 3412.2022 3412.4684 3804.9664 3877.0288
8.5782 5.2119 7.7954 8.5028 4.5448 3.9169 6.1542 10.6411 3.4953 4.0039 6.3053 6.8168 3.2596 7.2294 4.6491 4.3870 4.6516 4.3280 6.8060 4.5278 8.4276 4.2235 4.1438 1.1467 1.1940 5.6706 5.3474 5.2840 4.9817 3.7224 5.5757 7.0527 5.3233 5.3791 4.9332 4.0841 3.3116 4.0164 2.9592 2.0871 3.3807 2.1668 4.5199 3.9877 4.7240 4.3891 4.6527 4.0630 5.1447 3.9782 4.6928 4.3259 4.9108 3.9266 4.0516 3.3954 6.2081 5.0508 3.7365 4.2249 3.7549 4.0924 4.3577 4.1094 3.8975 1.3703 5.3811 6.9732 3.3709 1.9539 2.7232 1.5730 2.0562 1.6213 2.1710 3.7623 1.6502 3.6015 1.3973 1.7233 2.5974 1.5053 4.6534 1.3051 1.3804 2.8270 3.7323 5.8049 2.6867 4.2206 3.4845 3.6957 2.9108 3.3456 2.0769 2.5816 2.2979 2.1247 3.3886 1.4111 1.3151 1.2698 1.5806 2.1122 1.9971 1.4795 2.4670 1.4518 2.3391 2.5159 1.8237 1.4537 1.5987 1.4547 1.5009 2.0438 2.0233 2.0962 3.9909 1.6061 1.4635 1.4652 1.6627 1.8654 1.9880 3.0791 1.8664 1.1156 1.2585 1.1259 1.1931 5.5462 1.0501 1.0487 1.0679 1.0676 1.8042 3.6026 2.4107 2.3171 2.1563 6.6064 6.0154 5.4299 6.0228 4.8693 5.3890 3.4785 12.8399 11.7820 1.0351 1.0683 1.0701 1.0342 1.0828 1.1073 1.1072 1.0969 1.0963 1.0866 1.1023 1.1013 1.0895 1.0902 1.0928 1.0985 1.0890 1.0899 1.0914 1.0951 1.0945 1.0934 1.0761 1.0770
0.0006 0.0007 0.0017 0.0062 0.0049 0.0059 0.0142 0.0258 0.0107 0.0150 0.0322 0.0500 0.0283 0.0748 0.0631 0.0663 0.0739 0.0863 0.1483 0.1282 0.2637 0.1428 0.1662 0.0485 0.0607 0.2974 0.3103 0.3407 0.3344 0.2713 0.4472 0.6485 0.5073 0.5437 0.5346 0.4660 0.4080 0.5300 0.4238 0.3107 0.5426 0.3495 0.7451 0.7140 0.9329 0.8968 0.9739 0.8996 1.2149 0.9502 1.1508 1.1718 1.3496 1.0951 1.1582 1.0639 1.9936 1.7136 1.3234 1.5510 1.3999 1.5634 1.7042 1.6333 1.5937 0.5847 2.4415 3.2409 1.6281 0.9798 1.3780 0.8454 1.1163 0.8952 1.2227 2.2504 0.9944 2.2353 0.8936 1.1088 1.6976 0.9856 3.2572 0.9308 0.9965 2.1972 2.9327 4.5917 2.1628 3.4355 2.9651 3.1510 2.5367 2.9226 1.8633 2.3476 2.1031 2.0095 3.2092 1.3741 1.2970 1.2543 1.5641 2.1020 2.0276 1.5346 2.5736 1.5270 2.4834 2.7829 2.0471 1.6522 1.8565 1.7075 1.8016 2.4658 2.4609 2.5657 5.0556 2.0579 1.9081 1.9870 2.2938 2.6946 2.9031 4.6257 2.8088 1.7183 1.9683 1.7651 1.8784 8.8824 1.6848 1.6828 1.7353 1.7390 2.9492 5.9012 4.0183 3.8947 3.7406 12.1044 11.3881 10.2966 11.5299 9.4206 10.6442 6.8865 26.3068 26.1499 6.2615 6.4648 6.4806 6.2693 6.7136 6.9547 6.9784 6.9222 6.9985 6.9487 7.1724 7.1854 7.1869 7.2331 7.3354 7.4493 7.3946 7.4026 7.4789 7.5087 7.5079 7.5015 9.1789 9.5384
0.6478 0.0969 0.4890 0.5126 0.8813 2.5172 1.5238 0.3690 0.2823 0.9517 1.8971 2.8341 0.1436 1.6969 2.7473 0.8566 2.3733 5.8348 3.8139 2.2415 0.4851 1.3403 0.6769 0.1184 1.9257 8.8877 4.8268 3.4627 0.9401 1.1834 1.9538 2.2925 1.2995 2.8527 8.6179 2.3772 1.0518 0.9706 33.9565 23.5856 16.4013 22.9871 8.7259 3.8981 2.3349 20.6855 15.8930 14.8606 3.4531 3.9721 10.1914 6.2733 14.3164 10.4962 12.0784 30.8093 9.3441 4.2313 51.8742 21.2229 2.6366 12.9801 18.0636 22.3190 19.7694 103.4032 17.5671 12.6017 9.2910 44.0277 38.9930 23.2450 20.4623 1.6330 2.3945 1.5779 30.0137 30.3984 1.4773 4.3343 4.5926 9.9431 15.7421 0.1326 1.4859 12.9757 45.7092 52.6298 52.2467 28.4900 34.2370 62.7456 14.7784 29.1258 20.2034 25.2398 1.5983 6.1372 27.8830 30.7291 10.1935 4.4855 17.8864 5.2452 3.3827 33.7872 5.3729 6.2579 9.0965 27.6713 180.1536 115.2932 38.8091 6.1878 102.0016 227.8984 226.3662 28.5578 75.0193 17.7728 15.8885 22.3091 64.2282 138.2960 31.2885 81.7803 33.4370 2.2530 36.4591 7.8825 2.6061 257.4611 2.8949 8.0789 50.2159 8.0816 206.2808 45.6004 170.3231 123.1226 500.0775 17.1788 63.1928 54.9528 46.4902 12.3640 53.8397 107.5459 482.0779 327.1202 52.5087 11.8387 13.2709 58.3472 16.0756 55.3465 48.6661 18.8877 13.2732 6.5856 39.9579 40.9962 15.9957 4.0384 19.6869 27.3498 13.8272 5.5451 5.6721 3.1303 11.2182 2.0352 7.4783 44.8845
2.5548 1.2521 1.3298 5.4758 4.7345 1.2764 1.6731 2.4909 0.8312 0.9406 1.1988 0.7763 6.5821 0.7327 2.8145 3.3459 1.3047 0.3431 1.9776 0.6816 0.7033 2.6201 1.7530 0.5316 0.0537 1.4518 1.9062 3.9827 2.6147 1.7649 0.8717 2.8171 2.5544 1.0622 2.8075 1.7829 1.0194 0.4484 2.0080 2.3415 4.3105 1.7752 3.1787 3.1937 1.4866 3.3529 2.4960 2.5575 2.2509 3.1774 1.3536 1.0771 2.8197 1.4143 5.3354 1.8424 5.7792 1.9069 7.3207 0.6887 6.1246 3.9826 0.7311 0.7360 3.8245 2.0677 24.3103 6.0895 5.6388 2.4904 4.8177 1.6113 5.5949 1.4755 1.6165 5.1219 1.6434 2.0691 2.0037 2.4212 5.9423 1.2482 16.3039 0.1216 1.6076 2.2471 4.1508 10.8128 16.0847 4.2970 21.3769 6.7708 14.0386 6.4361 4.1773 13.5972 7.8707 3.4809 10.8801 2.4580 5.8421 5.0962 7.1357 2.7551 8.1375 0.9765 11.0314 8.0062 14.8197 52.4571 5.3597 7.1746 1.1925 0.7314 3.5564 4.5963 24.3056 44.1408 25.2582 5.5321 11.4869 26.6547 2.7490 0.9977 2.9274 3.1988 10.5964 17.6735 10.5471 9.7899 9.0436 29.8571 34.0105 9.9388 5.5804 18.8116 16.8848 24.6487 4.0350 2.6337 24.0102 22.7776 24.9748 47.1171 44.6888 83.2482 30.3030 51.4854 2.9041 46.0770 82.0368 48.0121 119.8103 134.3653 18.4777 47.5183 50.7177 36.5473 71.3260 48.0883 81.5581 145.2784 43.2181 64.7342 78.1507 253.5056 46.5365 34.5353 30.1810 32.1542 171.0660 85.0998 56.6912 76.1091
0.7454 0.7448 0.7348 0.7291 0.7399 0.7159 0.4153 0.7496 0.7112 0.6930 0.7402 0.7468 0.7083 0.1332 0.7352 0.6634 0.6866 0.6615 0.7000 0.4291 0.7030 0.2410 0.1765 0.7477 0.5871 0.4778 0.7470 0.5667 0.3189 0.2775 0.7439 0.7064 0.2817 0.6098 0.2434 0.7351 0.7097 0.2151 0.3653 0.7212 0.1140 0.1622 0.3215 0.6421 0.7286 0.2097 0.3504 0.3061 0.7368 0.2025 0.7438 0.6352 0.3437 0.6628 0.5454 0.5912 0.7386 0.3263 0.1357 0.1425 0.1821 0.0460 0.4486 0.2901 0.1054 0.1337 0.0794 0.2038 0.1622 0.6643 0.7426 0.7186 0.7076 0.6904 0.7493 0.7042 0.6268 0.3778 0.6349 0.2556 0.0611 0.5530 0.2356 0.7435 0.3298 0.4371 0.3627 0.0443 0.1256 0.3317 0.6359 0.7497 0.4144 0.6429 0.3635 0.2148 0.3212 0.3924 0.1921 0.7482 0.5577 0.7415 0.2850 0.7101 0.4715 0.3913 0.4899 0.6356 0.1098 0.2410 0.3114 0.5791 0.7422 0.6180 0.7050 0.4123 0.3646 0.1299 0.2691 0.7491 0.1673 0.4350 0.5764 0.6308 0.3988 0.2243 0.3389 0.7492 0.6993 0.7251 0.3920 0.1683 0.7497 0.7484 0.7152 0.6707 0.2508 0.0745 0.3103 0.2101 0.4137 0.4348 0.6786 0.4042 0.5484 0.3693 0.5007 0.2556 0.7347 0.3509 0.0298 0.2495 0.1350 0.0151 0.6869 0.7490 0.7352 0.4483 0.4353 0.1547 0.5491 0.4856 0.4852 0.5361 0.7459 0.1503 0.7436 0.7439 0.3739 0.1226 0.1627 0.1864 0.2439 0.1242
0.8541 0.8538 0.8471 0.8433 0.8505 0.8344 0.5869 0.8569 0.8312 0.8187 0.8507 0.8550 0.8292 0.2352 0.8474 0.7976 0.8142 0.7962 0.8235 0.6005 0.8256 0.3883 0.3000 0.8557 0.7398 0.6467 0.8552 0.7234 0.4836 0.4345 0.8532 0.8280 0.4396 0.7576 0.3915 0.8473 0.8302 0.3541 0.5351 0.8380 0.2046 0.2791 0.4865 0.7820 0.8430 0.3467 0.5190 0.4688 0.8485 0.3368 0.8531 0.7769 0.5115 0.7972 0.7059 0.7431 0.8497 0.4920 0.2390 0.2494 0.3080 0.0879 0.6194 0.4497 0.1908 0.2359 0.1472 0.3386 0.2791 0.7983 0.8523 0.8363 0.8288 0.8169 0.8567 0.8264 0.7706 0.5484 0.7767 0.4072 0.1152 0.7122 0.3814 0.8529 0.4961 0.6083 0.5323 0.0849 0.2232 0.4981 0.7774 0.8570 0.5860 0.7826 0.5332 0.3537 0.4862 0.5637 0.3222 0.8560 0.7161 0.8516 0.4435 0.8305 0.6408 0.5625 0.6576 0.7772 0.1979 0.3883 0.4750 0.7334 0.8520 0.7639 0.8270 0.5839 0.5344 0.2299 0.4240 0.8566 0.2866 0.6063 0.7313 0.7736 0.5702 0.3664 0.5063 0.8566 0.8231 0.8406 0.5632 0.2881 0.8569 0.8561 0.8339 0.8029 0.4010 0.1387 0.4736 0.3473 0.5853 0.6060 0.8086 0.5757 0.7084 0.5394 0.6673 0.4071 0.8471 0.5195 0.0579 0.3994 0.2378 0.0298 0.8144 0.8565 0.8474 0.6191 0.6065 0.2679 0.7090 0.6537 0.6534 0.6980 0.8545 0.2613 0.8530 0.8531 0.5443 0.2184 0.2798 0.3142 0.3921 0.2210
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
6 8 6 6 6 6 6 6 6 1 6 6 6 6 1 7 6 6 6 6 6 6 7 6 6 6 6 6 6 7 8 8 17 6 8 6 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 34.96885 12.00000 15.99491 12.00000 15.99491 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
11104.6690 36051.5598 39521.3240
0.99989 -0.01367 0.00609 0.01348 0.99946 0.03001 -0.00650 -0.02992 0.99953
1
0.00780 0.00240 0.00219
0.16252 0.05006 0.04566
15.32 21.06 27.82 50.57 61.45 72.67 89.99 92.22 103.93 114.56 133.89 160.56 174.51 190.62 218.43 230.36 236.31 264.69 276.68 315.45 331.54 344.70 375.38 385.65 422.67 429.25 451.50 475.97 485.66 506.06 530.86 568.40 578.64 595.94 617.05 633.16 657.94 680.89 709.36 723.21 750.95 752.81 761.04 793.14 832.97 847.26 857.60 882.00 910.87 916.07 928.24 975.56 982.64 989.89 1002.18 1049.22 1062.19 1091.80 1115.51 1135.72 1144.51 1158.54 1172.17 1181.71 1198.60 1224.36 1262.59 1277.86 1302.67 1327.36 1333.36 1374.12 1381.12 1392.81 1406.67 1449.67 1455.06 1476.71 1498.96 1503.53 1515.37 1516.73 1568.21 1582.95 1592.59 1652.49 1661.57 1667.08 1681.80 1691.14 1729.08 1730.79 1749.83 1751.92 1775.46 1787.47 1793.21 1822.89 1824.16 1849.71 1861.45 1862.99 1864.64 1869.92 1888.68 1909.04 1914.50 1922.42 1931.40 1971.39 1985.91 1998.33 2019.95 2030.82 2053.65 2058.85 2067.22 2073.75 2109.69 2121.72 2140.32 2182.85 2201.57 2252.80 2265.17 2297.45 2299.49 2326.32 2344.13 2346.99 2351.94 2372.11 2374.32 2374.44 2389.46 2392.29 2396.47 2398.99 2420.00 2430.18 2468.78 2537.22 2579.07 2581.20 2593.47 2607.19 2634.34 2637.35 2683.00 2792.51 4610.24 4610.97 4612.70 4614.98 4667.39 4697.62 4705.87 4708.80 4735.99 4740.12 4781.32 4787.79 4814.12 4828.16 4856.26 4881.14 4884.49 4884.98 4906.84 4908.11 4909.40 4909.78 5474.50 5578.18
0.507888
0.537148
0.538093
0.443615
-2032.891781
-2032.862521
-2032.861577
-2032.956054
3.168774D-04
MUNgauss
RevisionA2.0
retrievium
18-Jul-2020
DUDE COc1ccc(c(c1)[C@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)[N+](=O)[O-])Cl)C(=O)C2)OC C21232700
RHF
6-31G(d)
(6D,10F)
C1
505.140449
|X|Y|Z|
130.958537 63.480694 47.280192
73.251789
27
|36.858105|
|13.628525|73.516695|
|8.025966|25.057777|36.858105|
|6.723011|13.985361|13.859694|36.858105|
|4.505381|9.228181|7.953603|13.638579|36.858105|
|3.787685|8.201196|6.847642|7.900474|13.856365|36.858105|
|3.973403|9.383798|7.854542|6.808471|7.900593|13.525098|36.858105|
|5.262517|14.573134|13.633902|7.966314|6.934477|7.973844|13.845691|36.858105|
|3.095676|6.962056|4.967354|4.411196|5.021689|7.542169|12.525700|7.490149|36.858105|
|2.790597|6.043681|4.250877|4.018501|4.791572|7.223461|9.025957|5.749993|17.572916|0.500000|
|2.754362|5.987287|4.088221|3.757161|4.261937|5.888133|7.564228|5.509348|12.444350|0.249409|36.858105|
|2.288916|4.828993|3.131026|2.907466|3.225234|4.136990|4.905953|3.970332|7.494101|0.191252|12.543134|36.858105|
|2.182171|4.600598|2.911313|2.657575|2.875624|3.592390|4.341135|3.686363|6.580773|0.175414|7.607389|14.113349|36.858105|
|1.872904|3.853137|2.373459|2.195335|2.346536|2.808950|3.232697|2.868799|4.339962|0.120555|4.832181|7.456180|12.592103|36.858105|
|1.866286|3.843861|2.326639|2.121502|2.223906|2.619435|3.056397|2.804465|3.988687|0.108078|4.230596|5.804288|9.181857|17.649069|0.500000|
|1.746515|3.548070|2.166253|2.022758|2.154171|2.529246|2.840962|2.558714|3.615638|0.098377|4.305491|6.455599|7.679131|13.003770|0.260724|53.358707|
|1.671354|3.359415|2.069535|1.973676|2.135281|2.501810|2.715757|2.406263|3.379331|0.094050|4.149829|6.068804|6.013435|7.686009|0.159442|18.507857|36.858105|
|1.490758|2.953185|1.801032|1.734467|1.867921|2.142343|2.278022|2.048979|2.727153|0.076733|3.206490|4.227322|4.245029|5.343333|0.123222|10.662115|13.691625|36.858105|
|1.419196|2.784109|1.701477|1.662347|1.801964|2.046248|2.124932|1.907371|2.480146|0.070306|2.911497|3.635535|3.474647|3.996976|0.094639|7.003769|7.866450|13.787624|36.858105|
|1.489732|2.921017|1.804327|1.782569|1.957840|2.232660|2.279569|2.017782|2.642107|0.075165|3.177847|3.886006|3.488677|3.724860|0.087288|6.181591|6.816069|7.971965|13.760714|36.858105|
|1.669145|3.310683|2.074246|2.045926|2.274621|2.652442|2.720171|2.355968|3.225084|0.091414|4.093483|5.183393|4.297623|4.312137|0.097758|7.030110|7.922619|6.945490|7.978967|13.793211|36.858105|
|1.790085|3.608403|2.263409|2.185002|2.410417|2.869436|3.063933|2.640299|3.828170|0.106774|5.059023|7.519161|6.082420|6.145175|0.130081|10.705427|13.686253|7.962666|6.845987|7.885580|13.697981|36.858105|
|2.062217|4.238694|2.714646|2.595767|2.894902|3.573099|3.920001|3.265510|5.160141|0.138624|8.000072|13.951436|7.829193|6.191276|0.133358|9.052678|7.745885|5.139981|4.549741|5.186608|7.968209|13.541136|53.358707|
|1.722426|3.492874|2.154520|2.032223|2.194955|2.605132|2.892331|2.548747|3.754910|0.111473|3.921640|5.403017|7.454049|12.447424|0.251679|10.392132|6.285599|5.107967|3.961948|3.631150|4.004090|5.162255|6.597099|36.858105|
|1.709696|3.444971|2.156362|2.077430|2.294189|2.745515|2.947208|2.528163|3.792519|0.118998|3.931079|5.214371|6.231130|7.410434|0.157056|7.709071|5.653779|4.796627|4.037681|3.879946|4.320733|5.241618|6.658364|13.718834|36.858105|
|1.562674|3.104511|1.927805|1.879331|2.069996|2.420484|2.534244|2.208745|3.099687|0.097510|3.120256|3.811698|4.322864|4.960654|0.117503|5.680143|4.268149|4.017222|3.585557|3.415444|3.586474|3.988389|5.013772|7.882064|13.774458|36.858105|
|1.453698|2.870650|1.755325|1.700051|1.840562|2.112115|2.227502|1.992082|2.665134|0.081598|2.652597|3.172378|3.668931|4.385019|0.111479|5.119393|3.685442|3.617492|3.198267|2.940101|2.988380|3.303446|4.149573|6.766660|7.918086|13.767091|36.858105|
|1.462949|2.901552|1.756565|1.676957|1.790349|2.049281|2.207404|2.005217|2.658210|0.079269|2.654466|3.220931|3.892027|5.013092|0.134757|5.733519|3.851262|3.749168|3.160991|2.827921|2.879148|3.287493|4.140826|7.901080|6.943280|8.021000|13.733678|36.858105|
|1.579600|3.169464|1.921658|1.811083|1.927427|2.232798|2.460684|2.231620|3.051970|0.089407|3.099251|3.940141|5.102703|7.579265|0.207030|7.863206|4.793170|4.377087|3.470056|3.083472|3.226697|3.898605|4.936463|13.753272|8.030679|6.926210|7.899142|13.774546|36.858105|
|1.353119|2.661621|1.589964|1.515364|1.597921|1.798163|1.932755|1.791623|2.266387|0.066481|2.247614|2.640790|3.121625|3.871853|0.110303|4.663069|3.120428|3.124776|2.693788|2.401163|2.403844|2.686611|3.413755|5.136707|4.535006|5.094159|7.624156|13.051953|7.892188|53.358707|
|1.312452|2.577768|1.528819|1.450796|1.518976|1.700304|1.835589|1.718480|2.140902|0.061720|2.154351|2.537565|2.985830|3.776710|0.110639|4.751207|3.128663|3.193384|2.716293|2.374533|2.350862|2.633263|3.313954|4.663365|3.941949|4.151216|5.501982|8.414077|6.989780|21.681857|73.516695|
|1.310989|2.564341|1.528343|1.463069|1.540663|1.720661|1.834900|1.707811|2.119010|0.062538|2.066721|2.366960|2.749982|3.240111|0.092034|3.901373|2.656865|2.650566|2.352511|2.140789|2.148140|2.360913|3.048724|4.143206|3.890265|4.527044|6.621405|8.367501|5.611311|21.810359|16.000334|73.516695|
|1.313926|2.559613|1.555225|1.523122|1.644599|1.850187|1.912824|1.729956|2.207824|0.067320|2.180846|2.498743|2.769421|3.136912|0.081914|3.855349|2.845294|2.890830|2.694995|2.510449|2.489715|2.629765|3.325036|4.192030|4.789501|7.116415|11.002860|6.910112|4.723027|8.231294|8.110228|11.415000|448.794386|
|2.403607|5.177567|3.260346|2.878752|3.044006|3.797970|4.886081|4.279234|7.577480|0.194071|6.607454|7.783891|12.929630|7.631382|0.211966|6.970903|4.144074|3.241229|2.751536|2.753193|3.247174|4.146472|6.910100|5.826036|4.984109|3.807846|3.381065|3.626598|4.580095|4.107389|5.083950|4.852037|21.052211|36.858105|
|2.220482|4.701326|2.872599|2.546155|2.645126|3.172791|3.915570|3.611934|5.319567|0.143935|4.662952|5.386191|8.164250|7.003014|0.227499|6.372675|3.713868|3.032570|2.560736|2.499369|2.842924|3.530393|5.450438|5.911841|4.765316|3.808544|3.562288|3.994614|5.117540|4.608420|5.687860|5.441874|22.048038|15.841804|73.516695|
|2.964654|6.707201|4.385923|3.683692|3.844130|4.967790|7.414329|6.434332|12.504149|0.249306|7.704427|6.576890|7.387783|4.879448|0.133877|5.220141|3.344453|2.703254|2.389993|2.457072|2.909601|3.534579|6.105387|4.064044|3.808452|3.102460|2.761537|2.862785|3.379894|3.354554|4.162538|4.075470|18.096964|12.573554|14.384290|36.858105|
|2.987241|6.175104|4.602101|5.177298|7.893861|14.017331|8.116636|5.289799|6.938542|0.219511|5.988309|4.438060|3.754317|2.954102|0.074491|3.625114|2.707787|2.318688|2.240245|2.487296|2.995266|3.184038|5.384885|2.808773|3.078108|2.714341|2.307881|2.191146|2.367116|2.578004|3.157342|3.217331|16.202729|3.763841|5.575177|4.526405|73.516695|
|2.704391|5.321989|3.794468|4.516381|6.748981|7.992864|5.233312|3.994709|4.608650|0.144018|4.256819|3.474140|3.020935|2.506935|0.063553|3.141905|2.389575|2.106366|2.079857|2.324566|2.731397|2.786077|4.467144|2.449186|2.721737|2.489020|2.131762|1.995691|2.108106|2.372216|2.901749|2.988390|15.377982|2.990413|4.610191|3.416268|24.215769|36.858105|
|17.551485|16.444276|7.041433|6.724829|4.564355|3.731975|3.773109|4.757982|2.950310|0.074048|2.709931|2.244039|2.105534|1.812026|0.049803|2.327859|1.652989|1.478369|1.417268|1.497282|1.678740|1.784196|2.796122|1.664394|1.659612|1.517077|1.406622|1.410730|1.521631|1.773462|2.251063|2.239510|10.228793|2.269123|3.699184|2.756130|5.285492|2.733198|0.500000|
|17.553271|16.446945|7.060671|6.730236|4.571647|3.740898|3.785671|4.776272|2.958491|0.075936|2.589552|2.173112|2.085107|1.799206|0.049689|2.270798|1.602435|1.436127|1.371154|1.439094|1.606182|1.714003|2.668960|1.677761|1.678767|1.547608|1.440828|1.441710|1.544034|1.817371|2.291402|2.313081|10.523824|2.303027|3.812863|2.818591|5.293829|2.750676|0.298938|0.500000|
|17.645339|17.002150|5.881655|4.901699|3.612464|3.181638|3.405730|4.416283|2.781255|0.069776|2.506861|2.130006|2.056264|1.787951|0.049956|2.278008|1.592071|1.426775|1.354833|1.412187|1.570898|1.687413|2.620238|1.642081|1.615775|1.481011|1.389330|1.407279|1.519562|1.784865|2.271520|2.260289|10.102828|2.270222|3.781532|2.750710|4.610955|2.358291|0.299984|0.299954|0.500000|
|7.406036|12.423827|8.893567|17.762487|8.940057|5.654419|4.922360|5.639236|3.534082|0.091474|3.120700|2.507174|2.312488|1.954268|0.052685|2.476433|1.783403|1.586847|1.530948|1.638635|1.858192|1.960909|3.109562|1.824415|1.865121|1.707759|1.557278|1.534915|1.644398|1.903861|2.386512|2.411113|11.327189|2.480860|3.974383|3.062693|7.460057|3.934645|0.223101|0.222389|0.145144|0.500000|
|3.915536|7.460829|5.678867|8.960658|17.761916|8.928966|5.618359|4.987591|4.089653|0.112982|3.642174|2.877524|2.570700|2.145975|0.056290|2.710634|2.000953|1.773557|1.731911|1.892337|2.178858|2.261901|3.621252|2.038292|2.155018|1.973231|1.755463|1.692512|1.801400|2.062756|2.558192|2.608675|12.753323|2.667739|4.183248|3.223093|12.583438|7.522696|0.113116|0.113199|0.089070|0.218684|0.500000|
|4.917912|13.674526|9.022777|5.700106|4.988407|5.642074|8.912592|17.762857|6.862182|0.144189|5.235070|3.977934|3.844377|3.002532|0.083512|3.620372|2.441122|2.071884|1.904122|1.986740|2.304003|2.622553|4.379787|2.616305|2.527755|2.196676|2.005546|2.052260|2.310403|2.511001|3.166122|3.114586|13.890589|4.659933|7.079461|7.242098|7.559230|3.325053|0.120591|0.121173|0.122321|0.124764|0.108194|0.500000|
|2.684138|5.688598|3.944866|3.847214|4.605641|6.458664|6.983976|4.972756|8.872826|0.217546|17.590171|8.922655|5.733497|4.087090|0.098687|5.181724|3.906974|3.105038|2.923480|3.308186|4.347796|5.014086|10.533203|3.514237|3.687815|3.005551|2.528230|2.473752|2.813050|2.859533|3.569255|3.458608|17.000715|4.944487|6.711282|5.576666|12.958423|5.092089|0.074748|0.070660|0.067155|0.089270|0.112031|0.124176|0.500000|
|2.921062|6.428677|4.287512|3.800163|4.086852|5.256523|6.907041|5.761756|8.827334|0.174766|17.510944|8.950330|6.289574|4.340643|0.110387|5.528153|3.840841|3.015557|2.739900|2.961485|3.729769|4.538178|9.178635|3.444951|3.336909|2.713124|2.371967|2.413198|2.818781|2.840097|3.607744|3.412108|15.865887|5.749200|7.579567|6.892030|8.739556|3.691104|0.080415|0.074485|0.074339|0.088152|0.096359|0.158911|0.302919|0.500000|
|1.627945|3.279126|1.975962|1.845281|1.945663|2.246151|2.505205|2.300882|3.093450|0.084393|3.541594|4.854605|5.759283|9.369153|0.240208|25.973851|9.595823|7.656195|4.935364|4.110818|4.346982|5.866428|6.750712|6.818278|4.960162|3.907661|3.720733|4.351361|5.999639|4.980872|6.904082|5.332254|22.733214|4.357965|7.542917|3.339131|4.168644|2.064305|0.044224|0.043271|0.043646|0.046507|0.050235|0.066831|0.088286|0.094693|0.500000|
|1.418800|2.802073|1.692410|1.621904|1.729640|1.966259|2.101851|1.917248|2.495512|0.070045|2.849071|3.663392|3.858241|5.074439|0.123927|9.809969|8.954772|17.701072|8.937559|5.661060|4.988304|5.664739|5.661993|5.001241|4.447878|3.870525|3.690867|3.993343|4.660252|4.650768|6.425088|5.047971|23.757995|3.065542|5.267665|2.537843|3.737196|1.916571|0.038936|0.038012|0.037939|0.041392|0.045603|0.054315|0.075642|0.075280|0.232508|0.500000|
|1.314042|2.558459|1.552541|1.520949|1.639465|1.838936|1.899015|1.722583|2.180195|0.061857|2.501147|3.023259|2.940743|3.376172|0.082667|5.685059|5.620490|8.936995|17.726414|8.895928|5.657721|4.938770|4.927986|3.429638|3.486328|3.246918|2.996922|2.960369|3.149506|3.531829|4.699305|4.055472|20.992318|2.412427|4.062363|2.117560|3.557554|1.881731|0.036465|0.035355|0.034972|0.039182|0.044011|0.047817|0.069808|0.065971|0.116521|0.215877|0.500000|
|1.418741|2.756702|1.699390|1.695819|1.864540|2.097908|2.107018|1.874706|2.385449|0.068045|2.818560|3.288463|2.956310|3.090524|0.074246|4.921112|4.923220|5.653521|8.890334|17.727099|8.939153|5.627832|5.735525|3.060557|3.307708|3.027462|2.640044|2.509065|2.668220|2.953474|3.807092|3.490620|18.720723|2.414639|3.925829|2.202824|4.163670|2.237228|0.039787|0.038178|0.037349|0.043629|0.050602|0.050956|0.082857|0.073490|0.092965|0.124184|0.213343|0.500000|
|1.729750|3.419234|2.163239|2.165548|2.442005|2.845914|2.844052|2.436489|3.293353|0.093531|4.221845|4.934754|3.929100|3.718419|0.086277|5.697683|5.644267|4.987390|5.663105|8.939255|17.689963|8.934545|10.051549|3.472203|3.816825|3.244294|2.701874|2.572310|2.835560|2.957313|3.751448|3.507587|18.481373|3.074370|4.739883|2.864747|5.820936|3.025657|0.048681|0.046269|0.044914|0.054641|0.065551|0.065120|0.132209|0.106405|0.099285|0.108087|0.124238|0.215958|0.500000|
|2.126698|4.348015|2.813703|2.737954|3.096559|3.811772|4.036073|3.333125|5.005447|0.133128|8.019887|9.576112|5.844992|4.695497|0.107477|6.797620|5.816095|4.338811|4.118484|4.957643|7.696645|9.462073|26.097555|3.911065|4.061746|3.228659|2.698185|2.655389|3.066147|3.038034|3.851121|3.595912|17.898687|4.299313|6.132343|4.107020|7.602953|3.568609|0.059554|0.056035|0.054745|0.066945|0.079596|0.089129|0.256515|0.194006|0.110908|0.099061|0.093157|0.117215|0.235302|0.500000|
|1.811871|3.666261|2.332539|2.267487|2.552997|3.121798|3.310774|2.754363|4.353407|0.140648|4.657149|6.310206|6.799779|6.826646|0.141286|7.468042|5.871286|4.738011|4.149601|4.251860|5.057683|6.174812|8.191579|8.908928|17.751707|8.996891|5.660541|4.991578|5.681886|4.916863|5.753229|5.695372|31.903528|5.144267|8.093769|4.093961|6.428984|3.154057|0.049100|0.049360|0.047162|0.056110|0.066585|0.075211|0.124340|0.105343|0.126969|0.115586|0.097150|0.100224|0.126683|0.137874|0.500000|
|1.534437|3.027351|1.889536|1.868800|2.080488|2.421244|2.472512|2.140636|2.957994|0.094363|2.967991|3.495744|3.759894|4.050034|0.097022|4.834349|3.769285|3.609953|3.398060|3.351538|3.500896|3.706415|4.697486|5.625378|8.920086|17.755442|8.980123|5.691745|4.982681|5.620842|6.135505|6.875979|55.018014|3.357040|5.847036|2.865285|4.920280|2.598473|0.041535|0.042428|0.040234|0.047353|0.055732|0.058350|0.081590|0.071464|0.091928|0.094844|0.086415|0.084644|0.090336|0.086549|0.217097|0.500000|
|1.560634|3.130800|1.875230|1.750528|1.838041|2.108624|2.347799|2.172526|2.874798|0.082011|2.921491|3.651700|4.736660|7.037038|0.226714|7.700988|4.421524|4.071364|3.208663|2.828526|2.942146|3.553488|4.554153|8.897619|5.675372|4.983650|5.657103|9.015995|17.760473|10.127023|13.789791|9.412215|31.409322|4.412748|9.124325|3.272782|3.901140|1.952186|0.041674|0.042198|0.042000|0.044285|0.047562|0.063357|0.072925|0.075701|0.175878|0.124530|0.081885|0.068387|0.072128|0.079199|0.124248|0.108097|0.500000|
|3.153210|7.292995|4.577328|3.672811|3.657217|4.492829|6.671571|6.758129|8.801154|0.174240|6.954180|5.852765|6.289579|4.450084|0.126697|5.029702|3.186377|2.592324|2.291976|2.346427|2.758235|3.336249|5.721964|3.586368|3.284740|2.717699|2.468318|2.594843|3.067498|3.106190|3.926158|3.765777|16.398929|9.079488|12.020821|17.514560|7.017975|3.063366|0.081224|0.081106|0.082385|0.085422|0.084948|0.243319|0.141288|0.204707|0.090604|0.068025|0.056655|0.058600|0.075396|0.108555|0.096715|0.069823|0.084810|0.500000|
|3.042813|6.869180|4.418116|3.690953|3.776858|4.704890|6.685711|6.244445|8.739653|0.212362|5.535639|4.898297|5.567030|4.141358|0.116655|4.465995|2.892722|2.411713|2.153275|2.199302|2.546606|3.005924|4.946030|3.690071|3.503410|2.966222|2.689576|2.780076|3.197437|3.309030|4.069940|4.090417|17.912955|9.010597|13.610599|17.602536|7.497685|3.280474|0.076844|0.081896|0.078686|0.085874|0.088280|0.196239|0.123612|0.140373|0.081690|0.063745|0.053714|0.055401|0.069826|0.093875|0.102061|0.076612|0.086253|0.302437|0.500000|
|2.760697|5.347080|3.783447|4.615889|6.776748|7.103039|4.808406|3.849899|4.129504|0.129161|3.639801|3.040774|2.742172|2.310061|0.059389|2.872527|2.157038|1.921172|1.889652|2.078899|2.393677|2.453820|3.857888|2.283548|2.522650|2.349950|2.041572|1.911232|1.998757|2.293484|2.796807|2.916967|14.919696|2.793442|4.400149|3.208994|16.451998|17.562403|0.076671|0.079962|0.066619|0.114267|0.223259|0.089180|0.114258|0.089481|0.053006|0.049128|0.047936|0.055713|0.072283|0.083638|0.079430|0.068245|0.051599|0.079992|0.088573|0.500000|
|2.728144|5.265851|3.716592|4.560854|6.728616|6.951077|4.682835|3.763360|4.030722|0.118764|3.929716|3.201477|2.753028|2.312791|0.058922|2.962066|2.268326|2.014809|2.009542|2.263074|2.648501|2.656156|4.233405|2.232179|2.445483|2.240081|1.940391|1.830475|1.936427|2.194977|2.708157|2.760091|14.088447|2.694205|4.173399|3.064075|16.434369|17.555401|0.078483|0.076496|0.065849|0.113621|0.229086|0.087245|0.132574|0.098503|0.054295|0.050875|0.050689|0.061134|0.082665|0.096103|0.077979|0.064678|0.050234|0.078675|0.080967|0.299005|0.500000|
|2.357489|4.617053|3.183136|3.617140|4.914783|5.865845|4.397160|3.414974|4.244349|0.137407|4.070950|3.510876|3.055792|2.578001|0.064496|3.241557|2.510737|2.227962|2.223112|2.510592|2.949806|2.952122|4.634900|2.571952|2.938394|2.713849|2.285405|2.102738|2.200737|2.477590|3.013514|3.119749|16.538762|2.946068|4.567516|3.224882|16.993601|17.639187|0.065960|0.066365|0.058144|0.089402|0.146748|0.081836|0.135916|0.096274|0.059066|0.055959|0.055790|0.067443|0.091571|0.102487|0.096104|0.080306|0.055950|0.079624|0.085547|0.299898|0.300102|0.500000|
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