2-Chloro-11-(1-Piperazinyl)Dibenzo[B,F][1,4]Thiazepine

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Properties Simple | Detailed

Formula C17H16ClN3S
IUPAC Name 8-chloro-6-piperazin-1-yl-benzo[b][1,4]benzothiazepine
Molecular Mass 329.847 g·mol−1
Heat of Formation 307.5 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 371.89 Å 3
Surface Area 321.07 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-chlorodibenzo(bf)(1,4)thiazepin-11-yl)piperazine
  • 4-cbtp
  • 8-chloro-6-(1-piperazinyl)benzo[b][1,5]benzothiazepine
  • 8-chloro-6-piperazin-1-yl-benzo[b][1,5]benzothiazepine
  • 8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzothiazepine
  • dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(1-piperazinyl)-
CAS Number(s)
  • 5747-63-7
InChIKey NYXDYIWPZMXTPA-UHFFFAOYSA-N
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Elements H S N C Cl