Formula |
C24H23ClFN3O5 |
IUPAC Name |
2-(3-chlorophenoxy)-3-fluoro-4-[[(1s,3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1-piperidyl]methyl]benzoic acid |
Molecular Mass |
487.908 g·mol−1 |
Heat of Formation |
-872.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.78 ± 1.08 D |
Volume |
541.46 Å 3 |
Surface Area |
452.4 Å 2 |
HOMO Energy |
-9.47 ± 0.55 eV |
LUMO Energy |
1.81 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CFELMOUQZGRYTG-KRWDZBQOSA-N |
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Elements |
C
Cl
H
F
O
N
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