1,5-Benzothiazepine

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Properties Simple | Detailed

Formula C9H7NS
IUPAC Name 1,5-benzothiazepine
Molecular Mass 161.224 g·mol−1
Heat of Formation 280.5 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 185.7 Å 3
Surface Area 181.34 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
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  • 1
  • 5
  • a
  • b
  • e
  • h
  • i
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  • p
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InChIKey KJFRSZASZNLCDF-UHFFFAOYSA-N
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Elements H S C N