(5R)-7-Chloro-5-(2-Chlorophenyl)-1,5-Dihydro-4,1-Benzothiazepin-2(3H)-One

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Properties Simple | Detailed

Formula C15H11Cl2NOS
IUPAC Name (5r)-7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one
Molecular Mass 324.225 g·mol−1
Heat of Formation -42.1 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 339.59 Å 3
Surface Area 284.34 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one
  • tocris-1114
InChIKey KQEPIRKXSUIUTH-HNNXBMFYSA-N
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