8-Chloro-N'-[3-(Ethylsulfonyl)Propanoyl]Dibenzo[B,F][1,4]Oxazepine-10(11H)-Carbohydrazide

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Properties Simple | Detailed

Formula C19H20ClN3O5S
IUPAC Name 3-chloro-n'-(3-ethylsulfonylpropanoyl)-6h-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Molecular Mass 437.897 g·mol−1
Heat of Formation -566.6 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 471.78 Å 3
Surface Area 422.56 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-n'-(3-ethylsulfonyl-1-oxopropyl)-6h-benzo[b][1,5]benzoxazepine-5-carbohydrazide
  • dibenz(b,f)(1,4)oxazepine-10(11h)-carboxylic acid, 8-chloro-, 2-(3-(ethylsulfonyl)-1-oxopropyl)hydrazide
  • sc 42867
  • sc-42867
CAS Number(s)
  • 102251-91-2
InChIKey MKWZNWIFSJUXCI-UHFFFAOYSA-N
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