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3-chlorothiophene-2-carbohydrazide
3-chlorothiophene-2-carbohydrazide
ID: BP-11886
Supplier:BroadPharm

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SMILES:c1(C(=O)NN)c(ccs1)Cl	
FORMULA: C5H5ClN2OS
MASS: 176.6240
EXACT MASS: 175.9811115
INTERATOMIC DISTANCES

              C   1      C   2      C   3      S   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    0.6033     1.1117     0.0000 
   S   4    0.5999     1.0253     0.9734     0.0000 
   C   5    0.9716     1.5679     0.6007     0.9703     0.0000 
   C   6    0.9682     1.5291     0.9696     0.5981     0.5974     0.0000 
   O   7    1.0362     0.5958     1.6258     1.1732     1.9750     1.7650 
   N   8    1.0417     0.6011     1.3306     1.5797     1.8975     2.0091 
  Cl   9    1.0689     1.3788     0.5954     1.5507     1.0669     1.5471 
   N  10    1.5869     1.0375     1.9269     2.0627     2.4860     2.5497 

              O   7      N   8     Cl   9      N  10
              --------------------------------------------
   O   7    0.0000 
   N   8    1.0362     0.0000 
  Cl   9    1.9646     1.3295     0.0000 
   N  10    1.1964     0.5974     1.8974     0.0000 



ATOMIC CHARGES
   C   1    0.0964371600
   C   2    0.2890534132
   C   3    0.0686473541
   S   4   -0.0809618922
   C   5    0.0190238838
   C   6    0.0364796551
   O   7   -0.2663034006
   N   8   -0.0881942071
  Cl   9   -0.0815554089
   N  10    0.0073734426


BOND ANGLES
   2    1    3   C2  Car  Car    134.751
   2    1    4   C2  Car   S2    117.251
   3    1    4  Car  Car   S2    107.997
   1    2    7  Car   C2   O2    119.944
   1    2    8  Car   C2  Nam    120.118
   7    2    8   O2   C2  Nam    119.939
   1    3    5  Car  Car  Car    107.594
   1    3    9  Car  Car   Cl    126.157
   5    3    9  Car  Car   Cl    126.249
   1    4    6  Car   S2  Car    107.847
   3    5    6  Car  Car  Car    108.052
   4    6    5   S2  Car  Car    108.510
   2    8   10   C2  Nam   N3    119.917


TORSION ANGLES
   7    2    1    3    179.974
   7    2    1    4      0.026
   8    2    1    3      0.026
   8    2    1    4    179.974
   5    3    1    2    179.974
   5    3    1    4      0.026
   9    3    1    2      0.026
   9    3    1    4    179.974
   6    4    1    2    179.974
   6    4    1    3      0.026
   6    5    3    1      0.026
   6    5    3    9    179.974
   5    6    4    1      0.026
  10    8    2    1    179.974
  10    8    2    7      0.026
   4    6    5    3      0.026