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

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Properties Simple | Detailed

Formula C24H23ClFN3O5++
IUPAC Name 2-(3-chlorophenoxy)-3-fluoro-4-[[(1s,3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-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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