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

Molecule SVG Image

Properties Simple | Detailed

Formula C28H32ClN3O5++
IUPAC Name 2-(3-chlorophenoxy)-4-[(1r)-3-methyl-1-[(1r,3s)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1-piperidyl]butyl]benzoic acid
Molecular Mass 526.024 g·mol−1
Heat of Formation -792.1 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 619.68 Å 3
Surface Area 500.55 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
InChIKey DUMBOKZAFBZKLT-XUZZJYLKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl