(3R)-5-(2-Fluorophenyl)-3-Hydroxy-1-Methyl-7-Nitro-3H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C16H12FN3O4
IUPAC Name (3r)-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-3h-1,4-benzodiazepin-2-one
Molecular Mass 329.283 g·mol−1
Heat of Formation -253.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 354.13 Å 3
Surface Area 309.25 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 1.33 ± eV
Point Group Symmetry C1
InChIKey CMUSQDKBRQSKNV-OAHLLOKOSA-N
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