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5,7-dichloro-2,3-dihydrothieno[3,4-b][1,4]dioxine
5,7-dichloro-2,3-dihydrothieno[3,4-b][1,4]dioxine ID: B187257
CAS:225518-49-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(c(sc1Cl)Cl)OCCO2	
FORMULA: C6H4Cl2O2S
MASS: 211.0658
EXACT MASS: 209.9309057
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      S   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7417     0.0000 
   C   3    1.2009     0.7472     0.0000 
   C   4    0.7510     1.2110     1.2042     0.0000 
   S   5    1.2058     1.2109     0.7460     0.7426     0.0000 
   O   6    0.7546     1.2993     1.9180     1.3703     1.9484     0.0000 
   O   7    1.2921     0.7504     1.3707     1.9210     1.9516     1.5000 
  Cl   8    1.3406     1.9414     1.9381     0.7551     1.3378     1.6884 
  Cl   9    1.9365     1.3405     0.7589     1.9396     1.3400     2.6169 
   C  10    1.4936     1.2917     2.0159     2.2343     2.4723     1.3024 
   C  11    1.2917     1.4895     2.2252     2.0182     2.4685     0.7475 

              O   7     Cl   8     Cl   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
  Cl   8    2.6126     0.0000 
  Cl   9    1.6988     2.6458     0.0000 
   C  10    0.7391     2.8085     2.4298     0.0000 
   C  11    1.2879     2.4265     2.8059     0.7500     0.0000 



ATOMIC CHARGES
   C   1    0.1902257705
   C   2    0.1902257705
   C   3    0.1248015913
   C   4    0.1248015913
   S   5   -0.0578866989
   O   6   -0.4669472445
   O   7   -0.4669472445
  Cl   8   -0.0718251716
  Cl   9   -0.0718251716
   C  10    0.2526884036
   C  11    0.2526884036


BOND ANGLES
   2    1    4  Car  Car  Car    108.435
   2    1    6  Car  Car   O3    120.528
   4    1    6  Car  Car   O3    131.038
   1    2    3  Car  Car  Car    107.526
   1    2    7  Car  Car   O3    119.982
   3    2    7  Car  Car   O3    132.493
   2    3    9  Car  Car   Cl    125.762
   2    3    5  Car  Car   S2    108.383
   5    3    9   S2  Car   Cl    125.855
   1    4    5  Car  Car   S2    107.663
   1    4    8  Car  Car   Cl    125.771
   5    4    8   S2  Car   Cl    126.566
   3    5    4  Car   S2  Car    107.993
   1    6   11  Car   O3   C3    118.622
   2    7   10  Car   O3   C3    120.273
   7   10   11   O3   C3   C3    119.746
   6   11   10   O3   C3   C3    120.851


TORSION ANGLES
   3    2    1    4      0.026
   3    2    1    6    179.974
   7    2    1    4    179.974
   7    2    1    6      0.026
   9    3    2    1    179.974
   9    3    2    7      0.026
   5    3    2    1      0.026
   5    3    2    7    179.974
   5    4    1    2      0.026
   5    4    1    6    179.974
   8    4    1    2    179.974
   8    4    1    6      0.026
   3    5    4    1      0.026
   3    5    4    8    179.974
  11    6    1    2      0.026
  11    6    1    4    179.974
  10    7    2    1      0.026
  10    7    2    3    179.974
   7   10   11    6      0.026
  10   11    6    1      0.026
   2    3    5    4      0.026
   9    3    5    4    179.974
   2    7   10   11      0.026