Formula |
C24H21N3O5S |
IUPAC Name |
3-[(1r)-1-[[4-(3-nitrophenyl)phenoxy]methyl]-3-(3h-pyridin-1-ium-3-id-4-yl)propyl]thiazolidine-2,4-dione |
Molecular Mass |
463.506 g·mol−1 |
Heat of Formation |
-218.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.04 ± 1.08 D |
Volume |
532.42 Å 3 |
Surface Area |
451.96 Å 2 |
HOMO Energy |
-9.27 ± 0.55 eV |
LUMO Energy |
1.57 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VQEHBLGYANQWEA-OAQYLSRUSA-N |
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Links |
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Elements |
H
S
C
O
N
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