Formula |
C20H17F4N2O2S- |
IUPAC Name |
4-amino-5-fluoro-2-methyl-quinolin-1-ium-4a-ide-3-carbaldehyde; [3-[(1s)-2,2,2-trifluoro-1-hydroxy-ethyl]phenyl]methanethiolate |
Molecular Mass |
425.420 g·mol−1 |
Heat of Formation |
1969.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.84 ± 1.08 D |
Volume |
406.63 Å 3 |
Surface Area |
370.92 Å 2 |
HOMO Energy |
-9.57 ± 0.55 eV |
LUMO Energy |
-3.26 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RGKKFEWVDWUEPY-RBUKOAKNSA-N |
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Links |
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Elements |
S
N
C
O
F
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