Formula |
C24H25N3O7S |
IUPAC Name |
4-[[(3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1-piperidyl]sulfonyl]-2-(3-methylphenoxy)benzoic acid |
Molecular Mass |
499.536 g·mol−1 |
Heat of Formation |
-1018.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.42 ± 1.08 D |
Volume |
559.55 Å 3 |
Surface Area |
454.61 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
1.67 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HYOKWKXYBOKTDO-KRWDZBQOSA-N |
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Elements |
H
C
S
O
N
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