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Products Information


ID: 1701407910
Supplier:Focus Synthesis LLC.

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SMILES:c1(ccns1)Br	
FORMULA: C3H2BrNS
MASS: 164.0237
EXACT MASS: 162.9091321
INTERATOMIC DISTANCES

              C   1      N   2      C   3      S   4      C   5     Br   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.3374     0.0000 
   C   3    0.8250     1.3391     0.0000 
   S   4    0.8305     0.8220     1.3385     0.0000 
   C   5    1.3338     0.8325     0.8220     1.3367     0.0000 
  Br   6    0.8413     2.1155     1.5464     1.4163     2.1702     0.0000 




ATOMIC CHARGES
   C   1    0.0832813546
   N   2   -0.2071260111
   C   3    0.0359884509
   S   4    0.0198101282
   C   5    0.1083740235
  Br   6   -0.0403279460


BOND ANGLES
   3    1    4  Car  Car   S2    107.911
   3    1    6  Car  Car   Br    136.277
   4    1    6   S2  Car   Br    115.812
   4    2    5   S2  Nar  Car    107.784
   1    3    5  Car  Car  Car    108.164
   1    4    2  Car   S2  Nar    108.070
   2    5    3  Nar  Car  Car    108.071


TORSION ANGLES
   5    2    4    1      0.026
   5    3    1    4      0.026
   5    3    1    6    179.974
   2    4    1    3      0.026
   2    4    1    6    179.974
   2    5    3    1      0.026
   4    2    5    3      0.026