3-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Propyl 8-Fluoro-5-Methyl-6-Oxo-4H-Imidazo[1,5-A][1,4]Benzodiazepin-2-Ium-3A-Ide-3-Carboxylate

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Properties Simple | Detailed

Formula C22H18FN7O6
IUPAC Name 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl 8-fluoro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepin-2-ium-3a-ide-3-carboxylate
Molecular Mass 495.420 g·mol−1
Heat of Formation -175.8 ± 16.7 kJ·mol−1
Dipole Moment 8.61 ± 1.08 D
Volume 521.54 Å 3
Surface Area 375.79 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
InChIKey GSGDTRRQPOIUHD-UHFFFAOYSA-N
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