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

Molecule SVG Image

Properties Simple | Detailed

Formula C27H30ClN3O6
IUPAC Name 2-(3-chlorophenoxy)-3-methoxy-4-[(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1-piperidyl]propyl]benzoic acid
Molecular Mass 527.997 g·mol−1
Heat of Formation -892.1 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 602.71 Å 3
Surface Area 490.69 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey LWVFVEIAPUMILP-PGRDOPGGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl