(3S)-7-Chloro-2-Oxo-5-Phenyl-2,3-Dihydro-1H-1,4-Benzodiazepine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H11ClN2O3
IUPAC Name (3s)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
Molecular Mass 314.723 g·mol−1
Heat of Formation -240.6 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 340.82 Å 3
Surface Area 301.54 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey XDDJGVMJFWAHJX-AWEZNQCLSA-N
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Elements H C N O Cl