7-Chloro-5-(2-Chlorophenyl)-2-Oxo-2,3-Dihydro-1H-1,4-Benzodiazepin-3-Yl β-D-Glucopyranosiduronic Acid

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Formula C21H18Cl2N2O8
IUPAC Name (2s,3s,4s,5r,6s)-6-[[(3r)-7-chloro-5-(2-chlorobenzene-4,5-diid-1-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 497.282 g·mol−1
Heat of Formation -771.0 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 505.05 Å 3
Surface Area 380.37 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey IWOJSSFCRQKNKN-MDSWJYCDSA-N
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Elements H C N O Cl