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Miboplatin
Miboplatin ID: API-28891
CAS:103775-75-3
Supplier:APIchem

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SMILES:[Pt+2].[O-]C(=O)C1(CCC1)C(=O)[O-].N1[C@H](CCC1)CN	ChemMol.com
FORMULA: C11H18N2O4Pt
MASS: 437.3496
EXACT MASS: 437.0914481
INTERATOMIC DISTANCES

             Pt   1      O   2      O   3      O   4      O   5      N   6
              ------------------------------------------------------------------
  Pt   1    0.0000 
   O   2    1.0001     0.0000 
   O   3    1.0000     1.7321     0.0000 
   O   4    2.6458     1.7320     3.0000     0.0000 
   O   5    2.6457     3.0000     1.7320     3.4641     0.0000 
   N   6    2.7571     3.5650     3.1200     5.2969     4.7018     0.0000 
   N   7    3.9286     4.1417     4.7802     5.5686     6.5117     2.6767 
   C   8    2.0000     1.7321     1.7320     1.7321     1.7320     4.6991 
   C   9    2.7979     2.2128     2.7103     1.2452     2.5395     5.5525 
   C  10    2.7979     2.7104     2.2128     2.5396     1.2452     5.3293 
   C  11    3.4142     3.0402     3.0402     2.2361     2.2360     6.0950 
   C  12    3.2082     3.8192     3.7966     5.5042     5.4728     1.0000 
   C  13    4.1743     4.8172     4.6864     6.5041     6.3102     1.6181 
   C  14    4.3752     5.1629     4.6849     6.8909     6.1702     1.6181 
   C  15    3.6154     4.4909     3.7935     6.2193     5.2082     1.0000 
   C  16    1.7321     1.0000     2.0000     1.0000     2.6458     4.4665 
   C  17    1.7320     2.0000     1.0000     2.6458     1.0000     4.1200 
   C  18    3.0357     3.3990     3.8309     4.9687     5.5617     1.7820 
   H  19    2.5415     2.6786     1.7906     2.8901     0.6451     4.8971 
   H  20    3.3476     3.3234     2.6602     3.0972     1.2869     5.7726 
   H  21    3.3476     2.6602     3.3234     1.2869     3.0972     6.1040 
   H  22    2.5415     1.7906     2.6786     0.6451     2.8901     5.2836 
   H  23    3.8775     3.5975     3.3798     2.8536     2.2595     6.4862 
   H  24    3.8775     3.3798     3.5975     2.2595     2.8536     6.6013 
   H  25    2.5958     3.2019     3.2273     4.8945     4.9278     0.9063 
   H  26    4.2950     4.8276     4.9156     6.4606     6.5921     2.0015 
   H  27    4.7942     5.4308     5.2940     7.1101     6.9007     2.1990 
   H  28    4.9477     5.7006     5.2928     7.4205     6.7896     2.1990 
   H  29    4.7167     5.5623     4.9123     7.2942     6.2921     2.0014 
   H  30    4.1186     5.0292     4.1897     6.7485     5.4830     1.6116 
   H  31    3.3234     4.2593     3.3601     5.9649     4.6774     1.1202 
   H  32    2.1765     3.0373     2.5000     4.7657     4.0942     0.6200 
   H  33    2.4293     2.8629     3.2109     4.4937     4.9418     1.4934 
   H  34    2.8753     3.0622     3.7672     4.5300     5.4909     2.2510 
   H  35    4.0486     4.1106     4.9636     5.3997     6.6810     3.1840 
   H  36    4.4410     4.7193     5.2461     6.1782     6.9764     2.8379 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    5.8057     0.0000 
   C   9    6.3446     1.0000     0.0000 
   C  10    6.7012     1.0000     1.4142     0.0000 
   C  11    7.1732     1.4142     1.0000     1.0000     0.0000 
   C  12    1.7320     5.2080     5.9631     5.9513     6.6222     0.0000 
   C  13    2.0886     6.1693     6.9482     6.8748     7.5816     1.0000 
   C  14    3.0608     6.3070     7.1700     6.8968     7.6940     1.6180 
   C  15    3.3317     5.4683     6.3738     5.9924     6.8288     1.6180 
   C  16    5.1273     1.0001     1.2175     1.9829     2.1010     4.7960 
   C  17    5.6556     1.0000     1.9829     1.2175     2.1010     4.7780 
   C  18    0.9999     4.9810     5.6093     5.8321     6.3770     1.0000 
   H  19    6.4692     1.1766     1.9038     0.6200     1.6200     5.5851 
   H  20    7.2701     1.6200     1.9038     0.6200     1.1766     6.4471 
   H  21    6.7319     1.6201     0.6201     1.9039     1.1767     6.4648 
   H  22    5.8579     1.1767     0.6201     1.9039     1.6201     5.6054 
   H  23    7.7073     1.9038     1.6200     1.1766     0.6200     7.0711 
   H  24    7.5179     1.9038     1.1766     1.6201     0.6201     7.0773 
   H  25    1.8700     4.5956     5.3434     5.3559     6.0098     0.6200 
   H  26    1.5713     6.2927     7.0100     7.0598     7.7060     1.1202 
   H  27    2.3948     6.7887     7.5675     7.4880     8.2006     1.6116 
   H  28    3.1769     6.8979     7.7455     7.5056     8.2913     2.0014 
   H  29    3.6807     6.5877     7.4879     7.1071     7.9487     2.1989 
   H  30    3.8801     5.8994     6.8326     6.3533     7.2281     2.1989 
   H  31    3.7316     5.0723     6.0109     5.5261     6.3984     2.0014 
   H  32    2.9537     4.0911     4.9607     4.7095     5.4819     1.4537 
   H  33    1.5967     4.3940     5.0594     5.2272     5.7978     1.0812 
   H  34    1.0812     4.7261     5.2686     5.6294     6.0920     1.5967 
   H  35    0.6200     5.8220     6.2721     6.7571     7.1486     2.2901 
   H  36    0.6200     6.3577     6.9288     7.2316     7.7385     1.8397 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    1.6180     1.0000     0.0000 
   C  16    5.7899     6.0805     5.3464     0.0000 
   C  17    5.6816     5.6803     4.7756     1.7321     0.0000 
   C  18    1.7821     2.5876     2.5876     4.3989     4.7406     0.0000 
   H  19    6.4756     6.4311     5.5013     2.1535     0.8179     5.5581 
   H  20    7.3467     7.3075     6.3747     2.5989     1.6691     6.3815 
   H  21    7.4577     7.7218     6.9483     1.6691     2.5989     6.0492 
   H  22    6.6013     6.8982     6.1568     0.8179     2.1535     5.1733 
   H  23    8.0119     8.0642     7.1666     2.6901     2.3911     6.8831 
   H  24    8.0511     8.2106     7.3679     2.3911     2.6901     6.7673 
   H  25    1.6154     2.1027     1.8211     4.1764     4.1960     0.9064 
   H  26    0.6200     1.6117     2.1990     5.8207     5.8940     1.5351 
   H  27    0.6200     1.1202     2.0014     6.4066     6.2911     2.2973 
   H  28    1.1202     0.6200     1.6116     6.6368     6.2901     2.8881 
   H  29    1.6116     0.6199     1.1202     6.4432     5.8912     3.1853 
   H  30    2.0014     1.1202     0.6200     5.8492     5.1452     3.1853 
   H  31    2.1989     1.6116     0.6200     5.0481     4.3165     2.8881 
   H  32    2.2160     2.2160     1.4537     3.9019     3.5000     1.9763 
   H  33    2.0509     2.6728     2.4337     3.8599     4.1247     0.6200 
   H  34    2.3986     3.2016     3.1346     4.0511     4.6072     0.6199 
   H  35    2.7084     3.6771     3.9055     5.0646     5.7784     1.4158 
   H  36    1.8744     2.8743     3.3268     5.7115     6.1539     1.4158 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    2.4531     2.2911     0.0000 
   H  22    2.2911     2.4531     0.8768     0.0000 
   H  23    1.7346     1.0000     1.7347     2.2400     0.0000 
   H  24    2.2400     1.7347     1.0000     1.7346     0.8769     0.0000 
   H  25    5.0082     5.8635     5.8450     4.9866     6.4663     6.4599 
   H  26    6.7029     7.5628     7.4873     6.6177     8.1693     8.1426 
   H  27    7.0811     7.9538     8.0749     7.2168     8.6281     8.6711 
   H  28    7.0458     7.9224     8.2881     7.4547     8.6704     8.8003 
   H  29    6.6075     7.4783     8.0579     7.2570     8.2823     8.4878 
   H  30    5.8312     6.6946     7.4199     6.6513     7.5299     7.7857 
   H  31    5.0092     5.8756     6.6019     5.8442     6.7026     6.9566 
   H  32    4.2783     5.1535     5.5221     4.7158     5.8677     5.9946 
   H  33    4.9425     5.7705     5.5229     4.6510     6.2920     6.2064 
   H  34    5.4159     6.2043     5.6679     4.7920     6.6269     6.4404 
   H  35    6.5794     7.3455     6.6120     5.7490     7.7071     7.4486 
   H  36    6.9710     7.7886     7.3292     6.4537     8.2614     8.0989 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    1.7042     0.0000 
   H  27    2.2304     0.8298     0.0000 
   H  28    2.5596     1.6170     0.8704     0.0000 
   H  29    2.6294     2.2129     1.6169     0.8297     0.0000 
   H  30    2.4397     2.6163     2.2380     1.6169     0.8704     0.0000 
   H  31    2.0264     2.7509     2.6163     2.2129     1.6169     0.8297 
   H  32    1.0841     2.5413     2.8094     2.8094     2.5413     2.0058 
   H  33    0.6136     1.9700     2.6353     3.0826     3.2222     3.0528 
   H  34    1.3449     2.1071     2.8963     3.5076     3.7936     3.7447 
   H  35    2.3221     2.1855     3.0035     3.7954     4.2971     4.4691 
   H  36    2.1562     1.2729     2.0301     2.8731     3.4825     3.8171 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    1.3047     0.0000 
   H  33    2.6076     1.5104     0.0000 
   H  34    3.3711     2.3073     0.7970     0.0000 
   H  35    4.2706     3.3853     1.9203     1.2046     0.0000 
   H  36    3.8031     3.2195     2.0354     1.6621     1.0739     0.0000 




ATOMIC CHARGES
  Pt   1    0.0000000000
   O   2   -0.5000000000
   O   3   -0.5000000000
   O   4   -0.5000000000
   O   5   -0.5000000000
   N   6    0.0000000000
   N   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   H  19    0.0000000000
   H  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  23    0.0000000000
   H  24    0.0000000000
   H  25    0.0000000000
   H  26    0.0000000000
   H  27    0.0000000000
   H  28    0.0000000000
   H  29    0.0000000000
   H  30    0.0000000000
   H  31    0.0000000000
   H  32    0.0000000000
   H  33    0.0000000000
   H  34    0.0000000000
   H  35    0.0000000000
   H  36    0.0000000000


BOND ANGLES
  12    6   15   C3   N3   C3    107.997
  12    6   32   C3   N3   HC    126.001
  15    6   32   C3   N3   HC    126.001
  18    7   35   C3   N3   HC    120.000
  18    7   36   C3   N3   HC    120.002
  35    7   36   HC   N3   HC    119.998
   9    8   10   C3   C3   C3     90.000
   9    8   16   C3   C3  Cac     74.998
   9    8   17   C3   C3  Cac    165.001
  10    8   16   C3   C3  Cac    164.998
  10    8   17   C3   C3  Cac     75.001
  16    8   17  Cac   C3  Cac    120.001
   8    9   11   C3   C3   C3     90.000
   8    9   21   C3   C3   HC    179.974
   8    9   22   C3   C3   HC     90.007
  11    9   21   C3   C3   HC     90.007
  11    9   22   C3   C3   HC    179.974
  21    9   22   HC   C3   HC     89.987
   8   10   11   C3   C3   C3     90.000
   8   10   19   C3   C3   HC     90.000
   8   10   20   C3   C3   HC    179.974
  11   10   19   C3   C3   HC    179.974
  11   10   20   C3   C3   HC     90.000
  19   10   20   HC   C3   HC     90.000
   9   11   10   C3   C3   C3     90.000
   9   11   23   C3   C3   HC    179.974
   9   11   24   C3   C3   HC     89.993
  10   11   23   C3   C3   HC     90.000
  10   11   24   C3   C3   HC    179.974
  23   11   24   HC   C3   HC     90.007
   6   12   13   N3   C3   C3    108.003
   6   12   18   N3   C3   C3    126.000
   6   12   25   N3   C3   HC     62.999
  13   12   18   C3   C3   C3    125.997
  13   12   25   C3   C3   HC    171.002
  18   12   25   C3   C3   HC     63.001
  12   13   14   C3   C3   C3    107.998
  12   13   26   C3   C3   HC     84.000
  12   13   27   C3   C3   HC    168.001
  14   13   26   C3   C3   HC    168.001
  14   13   27   C3   C3   HC     84.001
  26   13   27   HC   C3   HC     84.001
  13   14   15   C3   C3   C3    107.998
  13   14   28   C3   C3   HC     84.001
  13   14   29   C3   C3   HC    167.999
  15   14   28   C3   C3   HC    168.001
  15   14   29   C3   C3   HC     84.002
  28   14   29   HC   C3   HC     83.999
   6   15   14   N3   C3   C3    108.003
   6   15   30   N3   C3   HC    168.001
   6   15   31   N3   C3   HC     84.000
  14   15   30   C3   C3   HC     83.996
  14   15   31   C3   C3   HC    167.997
  30   15   31   HC   C3   HC     84.000
   2   16    4 O.co2  Cac O.co2    120.001
   2   16    8 O.co2  Cac   C3    119.998
   4   16    8 O.co2  Cac   C3    120.001
   3   17    5 O.co2  Cac O.co2    120.001
   3   17    8 O.co2  Cac   C3    120.001
   5   17    8 O.co2  Cac   C3    119.999
   7   18   12   N3   C3   C3    120.001
   7   18   33   N3   C3   HC    160.004
   7   18   34   N3   C3   HC     80.003
  12   18   33   C3   C3   HC     79.995
  12   18   34   C3   C3   HC    159.995
  33   18   34   HC   C3   HC     80.000


TORSION ANGLES
  15    6   12   13      0.026
  15    6   12   18    179.974
  15    6   12   25    179.974
  32    6   12   13    179.974
  32    6   12   18      0.026
  32    6   12   25      0.026
  12    6   15   14      0.026
  12    6   15   30    179.974
  12    6   15   31    179.974
  32    6   15   14    179.974
  32    6   15   30      0.026
  32    6   15   31      0.026
  35    7   18   12    179.974
  35    7   18   33      0.026
  35    7   18   34      0.026
  36    7   18   12      0.026
  36    7   18   33    179.974
  36    7   18   34    179.974
  10    8    9   11      0.026
  10    8    9   21    179.974
  10    8    9   22    179.974
  16    8    9   11    179.974
  16    8    9   21      0.026
  16    8    9   22      0.026
  17    8    9   11      0.026
  17    8    9   21    179.974
  17    8    9   22    179.974
   9    8   10   11      0.026
   9    8   10   19    179.974
   9    8   10   20      0.026
  16    8   10   11      0.026
  16    8   10   19    179.974
  16    8   10   20      0.026
  17    8   10   11    179.974
  17    8   10   19      0.026
  17    8   10   20    179.974
   9    8   16    2    179.974
   9    8   16    4      0.026
  10    8   16    2    179.974
  10    8   16    4      0.026
  17    8   16    2      0.026
  17    8   16    4    179.974
   9    8   17    3    179.974
   9    8   17    5      0.026
  10    8   17    3    179.974
  10    8   17    5      0.026
  16    8   17    3      0.026
  16    8   17    5    179.974
   8    9   11   10      0.026
   8    9   11   23      0.026
   8    9   11   24    179.974
  21    9   11   10    179.974
  21    9   11   23    179.974
  21    9   11   24      0.026
  22    9   11   10    179.974
  22    9   11   23    179.974
  22    9   11   24      0.026
   8   10   11    9      0.026
   8   10   11   23    179.974
   8   10   11   24      0.026
  19   10   11    9      0.026
  19   10   11   23    179.974
  19   10   11   24      0.026
  20   10   11    9    179.974
  20   10   11   23      0.026
  20   10   11   24    179.974
   6   12   13   14      0.026
   6   12   13   26    179.974
   6   12   13   27    179.974
  18   12   13   14    179.974
  18   12   13   26      0.026
  18   12   13   27      0.026
  25   12   13   14      0.026
  25   12   13   26    179.974
  25   12   13   27    179.974
   6   12   18    7    179.974
   6   12   18   33      0.026
   6   12   18   34      0.026
  13   12   18    7      0.026
  13   12   18   33    179.974
  13   12   18   34    179.974
  25   12   18    7    179.974
  25   12   18   33      0.026
  25   12   18   34      0.026
  12   13   14   15      0.026
  12   13   14   28    179.974
  12   13   14   29    179.974
  26   13   14   15    179.974
  26   13   14   28      0.026
  26   13   14   29      0.026
  27   13   14   15    179.974
  27   13   14   28      0.026
  27   13   14   29      0.026
  13   14   15    6      0.026
  13   14   15   30    179.974
  13   14   15   31    179.974
  28   14   15    6    179.974
  28   14   15   30      0.026
  28   14   15   31      0.026
  29   14   15    6    179.974
  29   14   15   30      0.026
  29   14   15   31      0.026


CHIRAL ATOMS
  29   14   15   31      0.026