SMILES:c1(c(ncs1)C)C=O	

FORMULA: C5H5NOS
MASS: 127.1643
EXACT MASS: 127.0091848
INTERATOMIC DISTANCES

              C   1      N   2      C   3      S   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2003     0.0000 
   C   3    0.7432     0.7375     0.0000 
   S   4    0.7475     1.2056     1.2058     0.0000 
   C   5    1.2083     0.7457     1.2042     0.7493     0.0000 
   C   6    0.7353     1.9134     1.3200     1.3186     1.9206     0.0000 
   O   7    1.2799     2.2652     1.5482     1.9855     2.4746     0.7433 
   C   8    1.3182     1.3139     0.7377     1.9208     1.9190     1.6115 

              O   7      C   8
              ----------------------
   O   7    0.0000 
   C   8    1.4762     0.0000 



ATOMIC CHARGES
   C   1    0.0865908510
   N   2   -0.2404758453
   C   3    0.0691873285
   S   4   -0.0615092938
   C   5    0.1341690831
   C   6    0.2418253945
   O   7   -0.2825437800
   C   8    0.0527562620


BOND ANGLES
   2    5    4  Nar  Car   S2    107.493
   5    4    1  Car   S2  Car    107.663
   4    5    2   S2  Car  Nar    107.493
   5    2    3  Car  Nar  Car    108.557


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