Sign In Join Free

Products Information

Piroxicam
Piroxicam ID: AC-24190
CAS:36322-90-4
Supplier:Hangzhou APIChem Technology Co., Limited

Get a quote


SMILES:S1(=O)(=O)N(C(=C(c2c1cccc2)O)C(=O)Nc1ncccc1)C	
FORMULA: C15H13N3O4S
MASS: 331.3464
EXACT MASS: 331.0626769
INTERATOMIC DISTANCES

              S   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    0.8296     0.0000 
   C   3    1.4388     0.8250     0.0000 
   C   4    1.6625     1.4280     0.8233     0.0000 
   C   5    2.1896     1.4280     0.8233     1.4250     0.0000 
   C   6    0.8296     1.4250     1.6466     1.4280     2.4699     0.0000 
   C   7    1.4450     1.6574     1.4375     0.8341     2.1892     0.8251 
   N   8    2.4825     1.6529     1.4251     2.1746     0.8171     2.9705 
   O   9    0.8171     1.1796     1.9872     2.4084     2.5867     1.5911 
   O  10    0.8296     1.6087     2.2683     2.4127     3.0105     1.1733 
   C  11    3.3058     2.4762     2.1793     2.8500     1.4251     3.7754 
   O  12    2.8606     2.1781     1.4218     1.6358     0.8251     2.9613 
   N  13    3.7817     2.9701     2.4654     2.9585     1.6421     4.1119 
   O  14    2.4875     2.1862     1.4342     0.8251     1.6574     2.1781 
   C  15    1.4251     0.8233     1.4280     2.1802     1.6500     2.1769 
   C  16    2.1978     2.4807     2.1892     1.4375     2.8625     1.4342 
   C  17    1.4376     2.1892     2.4807     2.1884     3.3040     0.8341 
   C  18    4.5919     3.7735     3.2887     3.7636     2.4654     4.9352 
   C  19    3.7796     2.9705     2.8500     3.5849     2.1746     4.3563 
   C  20    2.4870     2.9790     2.8625     2.1892     3.5987     1.6574 
   C  21    2.1916     2.8625     2.9790     2.4807     3.7831     1.4375 
   C  22    4.9587     4.1291     3.7796     4.3587     2.9741     5.4067 
   C  23    4.5914     3.7754     3.5878     4.2750     2.8500     5.1418 

              C   7      N   8      O   9      O  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    2.8625     0.0000 
   O   9    2.2621     2.6305     0.0000 
   O  10    1.9853     3.2353     0.8250     0.0000 
   C  11    3.6002     0.8233     3.4209     4.0529     0.0000 
   O  12    2.4699     1.4235     3.3564     3.6900     1.6512     0.0000 
   N  13    3.7754     1.4218     4.0326     4.5787     0.8251     1.4251 
   O  14    1.4280     2.4745     3.2265     3.2265     2.9756     1.4250 
   C  15    2.4807     1.4388     1.2555     1.9870     2.1896     2.4750 
   C  16    0.8233     3.5973     3.0028     2.5818     4.2875     2.9670 
   C  17    1.4280     3.7872     1.9754     1.2453     4.5985     3.7747 
   C  18    4.5869     2.1720     4.8024     5.3797     1.4218     2.1793 
   C  19    4.2875     1.4250     3.7285     4.4498     0.8233     2.4745 
   C  20    1.4250     4.2875     3.2177     2.6129     5.0180     3.7713 
   C  21    1.6466     4.3685     2.7922     2.0663     5.1539     4.1165 
   C  22    5.1569     2.4762     5.0415     5.7001     1.6529     2.8626 
   C  23    5.0180     2.1769     4.5515     5.2716     1.4250     2.9756 

              N  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
   O  14    2.8500     0.0000 
   C  15    2.8606     2.8622     0.0000 
   C  16    4.3563     1.6466     3.3040     0.0000 
   C  17    4.9460     2.8559     2.8625     1.6500     0.0000 
   C  18    0.8233     3.5878     3.5952     5.1418     5.7693     0.0000 
   C  19    1.4342     3.7791     2.4762     5.0160     5.1539     1.6500 
   C  20    5.1418     2.4699     3.7831     0.8233     1.4280     5.9375 
   C  21    5.4019     2.9703     3.5987     1.4280     0.8233     6.2191 
   C  22    1.4376     4.2876     3.7911     5.7754     6.2356     0.8280 
   C  23    1.6574     4.3638     3.2995     5.7125     5.9495     1.4342 

              C  19      C  20      C  21      C  22      C  23
              -------------------------------------------------------
   C  19    0.0000 
   C  20    5.7125     0.0000 
   C  21    5.7736     0.8250     0.0000 
   C  22    1.4388     6.5479     6.7556     0.0000 
   C  23    0.8233     6.4390     6.5455     0.8375     0.0000 



ATOMIC CHARGES
   S   1    0.0769367675
   N   2   -0.1811509482
   C   3    0.1627983963
   C   4    0.2161434254
   C   5    0.2884433523
   C   6    0.1285028256
   C   7    0.0592743977
   N   8   -0.1554248810
   O   9   -0.1497162647
   O  10   -0.1497162647
   C  11    0.1548193886
   O  12   -0.2664299331
   N  13   -0.2272832927
   O  14   -0.2849919814
   C  15    0.1394522990
   C  16    0.0045773035
   C  17    0.0202961154
   C  18    0.1003753140
   C  19    0.0362315406
   C  20    0.0001835026
   C  21    0.0013818750
   C  22    0.0207750571
   C  23    0.0045220055


BOND ANGLES
   2    1    6  Npl  So2  Car    118.369
   2    1    9  Npl  So2   O2     91.506
   2    1   10  Npl  So2   O2    151.631
   6    1    9  Car  So2   O2    150.126
   6    1   10  Car  So2   O2     90.000
   9    1   10   O2  So2   O2     60.126
   1    2    3  So2  Npl   C2    120.816
   1    2   15  So2  Npl   C3    119.116
   3    2   15   C2  Npl   C3    120.069
   2    3    5  Npl   C2   C2    120.069
   2    3    4  Npl   C2   C2    120.069
   4    3    5   C2   C2   C2    119.863
   7    4   14  Car   C2   O2    118.770
   3    4    7   C2   C2  Car    120.293
   3    4   14   C2   C2   O2    120.937
   3    5    8   C2   C2  Nam    120.621
   3    5   12   C2   C2   O2    119.201
   8    5   12  Nam   C2   O2    120.178
   1    6    7  So2  Car  Car    121.684
   1    6   17  So2  Car  Car    119.546
   7    6   17  Car  Car  Car    118.770
   4    7    6   C2  Car  Car    118.770
   4    7   16   C2  Car  Car    120.293
   6    7   16  Car  Car  Car    120.937
   5    8   11   C2  Nam  Car    120.621
   8   11   13  Nam  Car  Nar    119.201
   8   11   19  Nam  Car  Car    119.863
  13   11   19  Nar  Car  Car    120.937
  11   13   18  Car  Nar  Car    119.201
   7   16   20  Car  Car  Car    119.863
   6   17   21  Car  Car  Car    120.293
  13   18   22  Nar  Car  Car    121.045
  11   19   23  Car  Car  Car    119.863
  16   20   21  Car  Car  Car    120.069
  17   21   20  Car  Car  Car    120.069
  18   22   23  Car  Car  Car    118.887
  19   23   22  Car  Car  Car    120.069


TORSION ANGLES
   3    2    1    6      0.026
   3    2    1    9    179.974
   3    2    1   10    179.974
  15    2    1    6    179.974
  15    2    1    9      0.026
  15    2    1   10      0.026
   5    3    2    1    179.974
   5    3    2   15      0.026
   4    3    2    1      0.026
   4    3    2   15    179.974
  14    4    7    6    179.974
  14    4    7   16      0.026
   3    4    7    6      0.026
   3    4    7   16    179.974
   8    5    3    2      0.026
   8    5    3    4    179.974
  12    5    3    2    179.974
  12    5    3    4      0.026
   7    6    1    2      0.026
   7    6    1    9    179.974
   7    6    1   10    179.974
  17    6    1    2    179.974
  17    6    1    9      0.026
  17    6    1   10      0.026
   4    7    6    1      0.026
   4    7    6   17    179.974
  16    7    6    1    179.974
  16    7    6   17      0.026
  11    8    5    3    179.974
  11    8    5   12      0.026
  13   11    8    5      0.026
  19   11    8    5    179.974
  18   13   11    8    179.974
  18   13   11   19      0.026
  20   16    7    4    179.974
  20   16    7    6      0.026
  21   17    6    1    179.974
  21   17    6    7      0.026
  22   18   13   11      0.026
  23   19   11    8    179.974
  23   19   11   13      0.026
  16   20   21   17      0.026
  20   21   17    6      0.026
  18   22   23   19      0.026
  22   23   19   11      0.026
   2    3    4    7      0.026
   2    3    4   14    179.974
   5    3    4    7    179.974
   5    3    4   14      0.026
   7   16   20   21      0.026
  13   18   22   23      0.026