Formula |
C28H31ClFN3O5 |
IUPAC Name |
2-(3-chlorophenoxy)-3-fluoro-4-[(1s)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1-piperidyl]butyl]benzoic acid |
Molecular Mass |
544.014 g·mol−1 |
Heat of Formation |
-986.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.49 ± 1.08 D |
Volume |
623.21 Å 3 |
Surface Area |
481.48 Å 2 |
HOMO Energy |
-9.18 ± 0.55 eV |
LUMO Energy |
-1.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IYCZAWHAUDFBFO-CVDCTZTESA-N |
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Elements |
C
Cl
H
F
O
N
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