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Zopiclone-d4
Zopiclone-d4 ID: B187334
CAS:43200-80-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(c2c(C1=O)nccn2)OC(=O)N1C(C(N(CC1)C)([2H])[2H])([2H])[2H])c1ncc(cc1)Cl	
FORMULA: C17H13ClD4N6O3
MASS: 392.8329
EXACT MASS: 392.1301731
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    3.1087     0.0000 
   N   3    2.6517     0.8219     0.0000 
   C   4    0.8250     2.4690     2.1840     0.0000 
   C   5    0.8305     3.8716     3.4672     1.4321     0.0000 
   C   6    3.9169     0.8191     1.4199     3.2881     4.6880     0.0000 
   C   7    1.4333     4.0879     3.8356     1.6538     0.8233     4.9028 
   C   8    1.6466     3.6181     3.5204     1.4250     1.4238     4.4096 
   C   9    1.8282     1.4220     0.8249     1.4293     2.6477     2.1711 
   O  10    1.5266     1.6440     1.4321     0.8250     2.2407     2.4631 
   N  11    4.2914     1.4252     1.6411     3.7722     5.1022     0.8267 
   C  12    0.8269     3.1584     2.5246     1.4301     1.4375     3.9129 
   C  13    3.1665     1.4319     0.8219     2.8512     3.9970     1.6547 
   N  14    1.4208     3.9410     3.2615     2.1743     1.6497     4.6716 
   N  15    2.1851     4.9028     4.6583     2.4771     1.4250     5.7153 
   N  16    2.4662     4.0993     4.1320     2.1728     2.1720     4.8469 
   O  17    1.4321     4.5386     4.0405     2.1848     0.8250     5.3432 
   O  18    1.6412     2.1802     1.4321     1.6475     2.4511     2.8520 
   H  19    2.7333     0.8250     1.3117     1.9756     3.4068     1.5167 
   H  20    3.3665     0.8309     1.5986     2.6069     4.0369     1.1625 
   C  21    3.9701     1.6514     1.4231     3.5909     4.7996     1.4348 
   H  22    4.1181     1.1626     1.9681     3.3872     4.8192     0.8250 
   H  23    4.6080     1.5212     2.2283     3.9169     5.3432     0.8250 
   C  24    1.4292     2.5857     1.8534     1.6461     2.1908     3.2726 
   C  25    2.1739     4.2286     3.4669     2.8487     2.4729     4.8821 
   C  26    2.4694     3.8252     3.0178     2.9676     2.9767     4.3910 
   C  27    2.1795     3.0059     2.1948     2.4694     2.8625     3.5668 
  Cl  28    3.2927     4.3610     3.5392     3.7724     3.7804     4.8300 
   C  29    5.1190     2.1821     2.4690     4.5878     5.9284     1.4343 
   C  30    2.8583     5.2676     5.1372     2.9727     2.1785     6.0583 
   C  31    2.9653     4.9070     4.9012     2.8458     2.4633     5.6619 

              C   7      C   8      C   9      O  10      N  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    3.0578     2.8292     0.0000 
   O  10    2.4587     2.0885     0.8277     0.0000 
   N  11    5.4226     5.0142     2.4661     2.9670     0.0000 
   C  12    2.1892     2.4735     1.7433     1.8302     4.1312     0.0000 
   C  13    4.4695     4.2438     1.4220     2.1802     1.4341     2.8376 
   N  14    2.4729     2.9646     2.5190     2.6451     4.8214     0.8167 
   N  15    0.8233     1.4321     3.8763     3.2797     6.2450     2.8625 
   N  16    1.4218     0.8197     3.5127     2.7181     5.5222     3.2932 
   O  17    1.4280     2.1794     3.2174     2.9517     5.6799     1.6574 
   O  18    3.0513     3.0465     0.8277     1.4319     2.9712     1.1941 
   H  19    3.4861     2.9234     1.4507     1.2105     2.2317     2.9942 
   H  20    4.0861     3.4808     1.9754     1.8420     1.9740     3.6017 
   C  21    5.2329     4.9434     2.1766     2.8552     0.8299     3.6654 
   H  22    4.8959     4.2932     2.5615     2.5939     1.5954     4.2717 
   H  23    5.4708     4.8964     2.9369     3.1029     1.3068     4.6779 
   C  24    2.8625     2.9687     1.1927     1.6414     3.3914     0.8275 
   C  25    3.2962     3.7692     2.8421     3.1692     4.8934     1.4187 
   C  26    3.7804     4.1160     2.5461     3.0692     4.2914     1.6424 
   C  27    3.5978     3.7726     1.7762     2.3962     3.4930     1.4250 
  Cl  28    4.5911     4.9392     3.2017     3.8084     4.5992     2.4657 
   C  29    6.2342     5.7986     3.2939     3.7756     0.8279     4.9500 
   C  30    1.4250     1.6497     4.4019     3.7132     6.6599     3.5997 
   C  31    1.6400     1.4208     4.2409     3.4736     6.3271     3.7740 

              C  13      N  14      N  15      N  16      O  17      O  18
              ------------------------------------------------------------------
   C  13    0.0000 
   N  14    3.4586     0.0000 
   N  15    5.2831     2.9727     0.0000 
   N  16    4.8983     3.7661     1.6500     0.0000 
   O  17    4.4627     1.4333     1.6466     2.8497     0.0000 
   O  18    1.6440     1.8513     3.8248     3.8180     2.8336     0.0000 
   H  19    2.0980     3.8097     4.2783     3.3304     4.1493     2.2773 
   H  20    2.2627     4.4139     4.8652     3.8096     4.7828     2.7969 
   C  21    0.8279     4.2790     6.0525     5.5464     5.2863     2.4719 
   H  22    2.4044     5.0697     5.6779     4.6010     5.5456     3.3403 
   H  23    2.4600     5.4538     6.2639     5.2289     6.0401     3.6559 
   C  24    2.0423     1.4301     3.5997     3.7686     2.4849     0.4241 
   C  25    3.4690     0.8233     3.7764     4.5773     2.1835     2.0485 
   C  26    2.8581     1.4292     4.3646     4.9356     2.8625     1.7195 
   C  27    2.0599     1.6502     4.2875     4.5794     2.9813     0.9743 
  Cl  28    3.2058     2.1811     5.1489     5.7589     3.5978     2.4005 
   C  29    2.1898     5.6255     7.0552     6.2704     6.5072     3.7801 
   C  30    5.8237     3.7792     0.8275     1.4271     2.4741     4.4672 
   C  31    5.6473     4.1128     1.4290     0.8192     2.9671     4.4586 

              H  19      H  20      C  21      H  22      H  23      C  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.6337     0.0000 
   C  21    2.4578     2.4066     0.0000 
   H  22    1.4183     0.8132     2.2598     0.0000 
   H  23    1.9858     1.4231     2.0983     0.6368     0.0000 
   C  24    2.6174     3.1662     2.8685     3.7412     4.0729     0.0000 
   C  25    4.2472     4.8118     4.2467     5.3878     5.6952     1.6500 
   C  26    3.9966     4.5014     3.5845     4.9838     5.2154     1.4280 
   C  27    3.2212     3.7009     2.8203     4.1622     4.3910     0.8233 
  Cl  28    4.6405     5.0961     3.8224     5.4956     5.6506     2.1802 
   C  29    2.9450     2.5733     1.4341     1.9809     1.4534     4.1966 
   C  30    4.5649     5.1038     6.5555     5.9120     6.5254     4.2875 
   C  31    4.1461     4.6287     6.3219     5.4189     6.0476     4.3539 

              C  25      C  26      C  27     Cl  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    0.8269     0.0000 
   C  27    1.4301     0.8250     0.0000 
  Cl  28    1.4292     0.8233     1.4280     0.0000 
   C  29    5.6568     5.0150     4.2385     5.2478     0.0000 
   C  30    4.5901     5.1509     5.0170     5.9460     7.4476     0.0000 
   C  31    4.9361     5.3971     5.1387     6.2141     7.0824     0.8251 

              C  31
              -----------
   C  31    0.0000 



ATOMIC CHARGES
   N   1   -0.1998253219
   C   2    0.0314038118
   N   3   -0.2540289697
   C   4    0.2991556710
   C   5    0.2756680186
   C   6    0.0162748041
   C   7    0.1538312577
   C   8    0.1413411128
   C   9    0.4059186460
   O  10   -0.4124934831
   N  11   -0.2786886049
   C  12    0.1405394943
   C  13    0.1132431583
   N  14   -0.2277990095
   N  15   -0.2362223350
   N  16   -0.2394842983
   O  17   -0.2677320377
   O  18   -0.2261539643
   H  19    0.0478305072
   H  20    0.0478305072
   C  21    0.0934430652
   H  22    0.0442311240
   H  23    0.0442311240
   C  24    0.0356840355
   C  25    0.1116407575
   C  26    0.0768942277
   C  27    0.0158449695
  Cl  28   -0.0806211421
   C  29    0.0891195262
   C  30    0.1196243093
   C  31    0.1192990384


BOND ANGLES
   4    1    5   C3  Nam   C2    119.782
   4    1   12   C3  Nam  Car    119.923
   5    1   12   C2  Nam  Car    120.296
   3    2    6  Nam   C3   C3    119.827
   3    2   19  Nam   C3    D    105.583
   3    2   20  Nam   C3    D    150.583
   6    2   19   C3   C3    D    134.589
   6    2   20   C3   C3    D     89.589
  19    2   20    D   C3    D     45.000
   2    3    9   C3  Nam   C2    119.417
   2    3   13   C3  Nam   C3    121.167
   9    3   13   C2  Nam   C3    119.417
   1    4    8  Nam   C3  Car     90.000
   1    4   10  Nam   C3   O3    135.408
   8    4   10  Car   C3   O3    134.592
   1    5    7  Nam   C2  Car    120.150
   1    5   17  Nam   C2   O2    119.782
   7    5   17  Car   C2   O2    120.069
   2    6   22   C3   C3    D     90.003
   2    6   23   C3   C3    D    135.411
   2    6   11   C3   C3   N3    119.995
  22    6   23    D   C3    D     45.408
  11    6   22   N3   C3    D    150.002
  11    6   23   N3   C3    D    104.594
   5    7   15   C2  Car  Nar    119.863
   5    7    8   C2  Car  Car    119.492
   8    7   15  Car  Car  Nar    120.645
   4    8   16   C3  Car  Nar    149.784
   4    8    7   C3  Car  Car     90.576
   7    8   16  Car  Car  Nar    119.639
   3    9   10  Nam   C2   O3    120.124
   3    9   18  Nam   C2   O2    120.124
  10    9   18   O3   C2   O2    119.751
   4   10    9   C3   O3   C2    119.717
  21   11   29   C3   N3   C3    119.776
   6   11   21   C3   N3   C3    120.024
   6   11   29   C3   N3   C3    120.200
   1   12   14  Nam  Car  Nar    119.628
   1   12   24  Nam  Car  Car    119.511
  14   12   24  Nar  Car  Car    120.861
   3   13   21  Nam   C3   C3    119.211
  12   14   25  Car  Nar  Car    119.774
   7   15   30  Car  Nar  Car    119.365
   8   16   31  Car  Nar  Car    120.218
  11   21   13   N3   C3   C3    119.776
  12   24   27  Car  Car  Car    119.365
  14   25   26  Nar  Car  Car    120.009
  27   26   28  Car  Car   Cl    120.069
  25   26   27  Car  Car  Car    119.923
  25   26   28  Car  Car   Cl    120.009
  24   27   26  Car  Car  Car    120.069
  15   30   31  Nar  Car  Car    119.698
  16   31   30  Nar  Car  Car    120.434


TORSION ANGLES
   6    2    3    9    179.974
   6    2    3   13      0.026
  19    2    3    9      0.026
  19    2    3   13    179.974
  20    2    3    9      0.026
  20    2    3   13    179.974
   2    3    9   10      0.026
   2    3    9   18    179.974
  13    3    9   10    179.974
  13    3    9   18      0.026
   8    4    1    5      0.026
   8    4    1   12    179.974
  10    4    1    5    179.974
  10    4    1   12      0.026
   7    5    1    4      0.026
   7    5    1   12    179.974
  17    5    1    4    179.974
  17    5    1   12      0.026
  22    6    2    3    179.974
  22    6    2   19      0.026
  22    6    2   20      0.026
  23    6    2    3    179.974
  23    6    2   19      0.026
  23    6    2   20      0.026
  11    6    2    3      0.026
  11    6    2   19    179.974
  11    6    2   20    179.974
  15    7    5    1    179.974
  15    7    5   17      0.026
   8    7    5    1      0.026
   8    7    5   17    179.974
  16    8    4    1    179.974
  16    8    4   10      0.026
   7    8    4    1      0.026
   7    8    4   10    179.974
   3    9   10    4    179.974
  18    9   10    4      0.026
   9   10    4    1      0.026
   9   10    4    8    179.974
  29   11   21   13    179.974
   6   11   21   13      0.026
  14   12    1    4    179.974
  14   12    1    5      0.026
  24   12    1    4      0.026
  24   12    1    5    179.974
  21   13    3    2      0.026
  21   13    3    9    179.974
  25   14   12    1    179.974
  25   14   12   24      0.026
  30   15    7    5    179.974
  30   15    7    8      0.026
  31   16    8    4    179.974
  31   16    8    7      0.026
  11   21   13    3      0.026
  27   24   12    1    179.974
  27   24   12   14      0.026
  26   25   14   12      0.026
  28   26   27   24    179.974
  25   26   27   24      0.026
  26   27   24   12      0.026
  31   30   15    7      0.026
  30   31   16    8      0.026
   5    7    8    4      0.026
   5    7    8   16    179.974
  15    7    8    4    179.974
  15    7    8   16      0.026
  14   25   26   27      0.026
  14   25   26   28    179.974
  16   31   30   15      0.026
  21   11    6    2      0.026
  21   11    6   22    179.974
  21   11    6   23    179.974
  29   11    6    2    179.974
  29   11    6   22      0.026
  29   11    6   23      0.026


CHIRAL ATOMS
  29   11    6   23      0.026