| Formula |
C25H24F3N3O5 |
| IUPAC Name |
4-[[(1s,3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-1-piperidyl]methyl]-2-[3-(trifluoromethyl)phenoxy]benzoic acid |
| Molecular Mass |
503.470 g·mol−1 |
| Heat of Formation |
-1327.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.98 ± 1.08 D |
| Volume |
560.03 Å 3 |
| Surface Area |
466.48 Å 2 |
| HOMO Energy |
-9.40 ± 0.55 eV |
| LUMO Energy |
2.03 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SLYIQORXPGMWOF-SFHVURJKSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
F
O
N
|
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