N-[2-(4-Chlorophenyl)Ethyl]-1,3,4,5-Tetrahydro-7,8-Dihydroxy-2H-2-Benzazepine-2-Carbothioamide

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Formula C19H21ClN2O2S
IUPAC Name n-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
Molecular Mass 376.900 g·mol−1
Heat of Formation -242.9 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 432.51 Å 3
Surface Area 310.48 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • bio1_000394
  • bio1_000883
  • bio1_001372
  • bio2_000270
  • bio2_000750
  • capsazepine
  • n-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
  • tocris-0464
CAS Number(s)
  • 138977-28-3
InChIKey DRCMAZOSEIMCHM-UHFFFAOYSA-N
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