[8-Chloro-6-(2-Fluorophenyl)-4H-Imidazo[1,5-A][1,4]Benzodiazepin-1-Yl]Methyl β-D-Glucopyranosiduronic Acid

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Formula C24H21ClFN3O7
IUPAC Name (2s,3s,4r,5s,6r)-6-[[8-chloro-6-(2-fluorophenyl)-4h-imidazo[1,5-a][1,4]benzodiazepin-11-ium-1-ylium-1-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 517.891 g·mol−1
Heat of Formation -1029.7 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 551.64 Å 3
Surface Area 434.12 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey ICIUMXQTLQXWGL-XALOWKIYSA-N
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Elements C F H Cl O N