N-{4-[5-(3-Acetamidophenyl)-2-(2-Amino-3-Pyridinyl)-3H-Imidazo[4,5-B]Pyridin-3-Yl]Benzyl}-3-Fluorobenzamide

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Properties Simple | Detailed

Formula C33H26FN7O2
IUPAC Name n-[[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridyl)imidazo[4,5-b]pyridin-3-ium-3a-ylium-3-yl]phenyl]methyl]-3-fluoro-benzamide
Molecular Mass 571.604 g·mol−1
Heat of Formation 118.8 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 667.06 Å 3
Surface Area 550.96 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey WFDHLKUQFQCHKF-UHFFFAOYSA-N
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