Formula |
C21H18N4O4S |
IUPAC Name |
ethyl 6-[5-(benzenesulfonamido)-3-pyridyl]-5h-imidazo[1,2-a]pyridin-4-ium-5-ylium-3-carboxylate |
Molecular Mass |
422.457 g·mol−1 |
Heat of Formation |
-220.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.39 ± 1.08 D |
Volume |
471.81 Å 3 |
Surface Area |
379.15 Å 2 |
HOMO Energy |
-9.41 ± 0.55 eV |
LUMO Energy |
-1.65 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SEKOTFCHZNXZMM-UHFFFAOYSA-N |
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Elements |
H
S
C
O
N
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