Formula |
C28H24F3NO6 |
IUPAC Name |
(2s)-2-[3-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-1-ium-2-ylium-3-yl]methyl]phenoxy]propanoic acid |
Molecular Mass |
527.488 g·mol−1 |
Heat of Formation |
-1381.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.62 ± 1.08 D |
Volume |
590.23 Å 3 |
Surface Area |
495.04 Å 2 |
HOMO Energy |
-8.63 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OFCWBJAYEIROGZ-KRWDZBQOSA-N |
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Elements |
H
C
F
O
N
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