Formula |
C16H10ClFN2O3 |
IUPAC Name |
(3s)-7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid |
Molecular Mass |
332.714 g·mol−1 |
Heat of Formation |
-420.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.94 ± 1.08 D |
Volume |
347.82 Å 3 |
Surface Area |
305.19 Å 2 |
HOMO Energy |
-9.59 ± 0.55 eV |
LUMO Energy |
-1.27 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AUMAPAHSHLMFGL-AWEZNQCLSA-N |
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Elements |
C
F
H
Cl
O
N
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