Cyclopropylmethyl (12As)-8-Chloro-9-Oxo-12,12A-Dihydro-9H,11H-Azeto[2,1-C]Imidazo[1,5-A][1,4]Benzodiazepine-1-Carboxylate

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Properties Simple | Detailed

Formula C18H16ClN3O3
IUPAC Name cyclopropylmethyl (12as)-8-chloro-9-oxo-12,12a-dihydro-9h,11h-azeto[2,1-c]imidazo[1,5-a][1,4]benzodiazepine-1-carboxylate
Molecular Mass 357.791 g·mol−1
Heat of Formation -93.9 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 392.24 Å 3
Surface Area 337.45 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 9h,11h-azeto(2,1-c)imidazo(1,5-a)(1,4)benzodiazepine-1-carboxylic acid, 8-chloro-12,12a-dihydro-9-oxo-, cyclopropylmethyl ester, (s)-
  • ro 17-1812
  • ro-17-1812
CAS Number(s)
  • 90450-01-4
InChIKey HFTSPQUXYIMHAN-ZDUSSCGKSA-N
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Elements H C N O Cl