(3S)-5-(2-Chlorophenyl)-3-Methyl-7-Nitro-1,3-Dihydro-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C16H12ClN3O3
IUPAC Name (3s)-5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular Mass 329.738 g·mol−1
Heat of Formation 29.9 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 354.31 Å 3
Surface Area 306.73 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
InChIKey WHQDJXNNSILKOT-VIFPVBQESA-N
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Elements H C N O Cl