Formula |
C25H30N2O4S |
IUPAC Name |
n-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxopyridin-1-ium-3-id-3-yl)phenyl]ethyl]phenyl]methanesulfonamide |
Molecular Mass |
454.582 g·mol−1 |
Heat of Formation |
-543.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.92 ± 1.08 D |
Volume |
545.44 Å 3 |
Surface Area |
459.49 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
-0.95 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VQCSFAUVYAVXEJ-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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