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ID: BBC/411
CAS:15282-88-9
Supplier:Aronis

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SMILES:C(=C(\[O-])/C)\C(=O)C.C(=C(\[O-])/C)\C(=O)C.[Pb+2]	
FORMULA: C10H14O4Pb
MASS: 405.4158
EXACT MASS: 406.0658609
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    7.4376     0.0000 
   C   3    1.3313     6.8562     0.0000 
   C   4    6.8267     1.3428     6.4705     0.0000 
   C   5    1.3189     6.8962     2.3001     6.0919     0.0000 
   C   6    6.9196     1.3235     6.1420     2.3137     6.6038     0.0000 
   O   7    2.3107     5.5443     1.3334     5.2409     2.6712     4.8087 
   O   8    5.5158     2.3085     5.2325     1.3255     4.7675     2.6713 
   O   9    2.2932     5.5896     2.6533     4.7587     1.3334     5.3834 
   O  10    5.6281     2.2918     4.8177     2.6618     5.4039     1.3255 
  Pb  11    3.5574     3.8992     3.0016     3.4802     3.2367     3.3951 
   C  12    7.7130     2.3050     7.5208     1.3221     6.8199     3.5161 
   C  13    2.3042     7.7649     1.3308     7.5413     3.5125     6.8912 
   C  14    7.8727     2.3095     6.9469     3.5401     7.7091     1.3392 
   C  15    2.3083     7.8131     3.5252     6.8573     1.3323     7.6796 

              O   7      O   8      O   9      O  10     Pb  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    4.0635     0.0000 
   O   9    2.3084     3.4346     0.0000 
   O  10    3.4847     2.3137     4.2554     0.0000 
  Pb  11    1.7665     2.3037     2.1318     2.1672     0.0000 
   C  12    6.3610     2.2981     5.5068     3.9838     4.5982     0.0000 
   C  13    2.3056     6.3671     3.9841     5.5797     4.0720     8.6651 
   C  14    5.6384     4.0105     6.5540     2.3065     4.4728     4.6145 
   C  15    4.0034     5.5662     2.2999     6.5507     4.4045     7.3877 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    7.5044     0.0000 
   C  15    4.6125     8.8524     0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   C   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   O   7   -1.0000000000
   O   8   -1.0000000000
   O   9    0.0000000000
   O  10    0.0000000000
  Pb  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000


BOND ANGLES
   3    1    5   C2   C2   C2    120.428
   4    2    6   C2   C2   C2    120.400
   1    3    7   C2   C2   O-    120.255
   1    3   13   C2   C2   C3    119.889
   7    3   13   O-   C2   C3    119.855
   2    4    8   C2   C2   O-    119.799
   2    4   12   C2   C2   C3    119.753
   8    4   12   O-   C2   C3    120.448
   1    5    9   C2   C2   O2    119.674
   1    5   15   C2   C2   C3    121.072
   9    5   15   O2   C2   C3    119.254
   2    6   10   C2   C2   O2    119.801
   2    6   14   C2   C2   C3    120.307
  10    6   14   O2   C2   C3    119.892


TORSION ANGLES
   7    3    1    5      0.026
  13    3    1    5    179.974
   8    4    2    6      0.026
  12    4    2    6    179.974
   9    5    1    3      0.026
  15    5    1    3    179.974
  10    6    2    4      0.026
  14    6    2    4    179.974