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

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Formula C25H26ClN3O6++
IUPAC Name 2-(3-chlorophenoxy)-3-methoxy-4-[[(1s,3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-1-piperidyl]methyl]benzoic acid
Molecular Mass 499.943 g·mol−1
Heat of Formation -842.4 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 564.83 Å 3
Surface Area 465.25 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey ZKCQEFJHWRKVMG-SFHVURJKSA-N
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