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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Elements |
H
C
F
O
N
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