4-{[(3S)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-1-Piperidinyl]Sulfonyl}-2-(3-Methylphenoxy)Benzoic Acid

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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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