Formula |
C17H12FNO5 |
IUPAC Name |
(2z,5e)-6-[4-(4-fluorobenzoyl)pyrrol-1-ium-2-ylium-2-yl]-2-hydroxy-4-oxo-hexa-2,5-dienoic acid |
Molecular Mass |
329.279 g·mol−1 |
Heat of Formation |
-713.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.27 ± 1.08 D |
Volume |
365.2 Å 3 |
Surface Area |
342.48 Å 2 |
HOMO Energy |
-9.51 ± 0.55 eV |
LUMO Energy |
1.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XOINLIFLBUUBGT-RSIRFQHMSA-N |
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Elements |
H
C
N
O
F
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