Formula |
C21H15F2N3O3S |
IUPAC Name |
n-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]-3h-imidazo[1,2-a]pyridin-4-ium-3-ylium-7-carboxamide |
Molecular Mass |
427.424 g·mol−1 |
Heat of Formation |
-406.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.08 ± 1.08 D |
Volume |
459.0 Å 3 |
Surface Area |
411.49 Å 2 |
HOMO Energy |
-9.35 ± 0.55 eV |
LUMO Energy |
-1.26 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YECCIJSXGJHBSG-UHFFFAOYSA-N |
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Elements |
C
F
H
O
N
S
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