1-[(10S)-8-Chloro-10,11-Dihydrodibenzo[B,F]Thiepin-10-Yl]-4-Methylpiperazine

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Properties Simple | Detailed

Formula C19H21ClN2S
IUPAC Name 1-[(5s)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine
Molecular Mass 344.901 g·mol−1
Heat of Formation 215.2 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 402.73 Å 3
Surface Area 325.26 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(6s)-8-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methyl-piperazine
  • 1-[(6s)-8-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methylpiperazine
  • pdsp1_000052
  • pdsp1_001494
  • pdsp2_000052
  • pdsp2_001478
InChIKey XRYLGRGAWQSVQW-KRWDZBQOSA-N
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Elements H S N C Cl