Arbaclofen Placarbil

Molecule SVG Image

Properties Simple | Detailed

Formula C19H26ClNO6
IUPAC Name (3r)-3-(4-chlorophenyl)-4-[[(1s)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]butanoic acid
Molecular Mass 399.866 g·mol−1
Heat of Formation -1259.6 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 482.25 Å 3
Surface Area 363.88 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(4-chlorophenyl)-4-[[(1s)-1-isobutyryloxy-2-methyl-propoxy]carbonylamino]butyric acid
  • (3r)-3-(4-chlorophenyl)-4-[[(1s)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]butanoic acid
  • (3r)-3-(4-chlorophenyl)-4-[[[(1s)-2-methyl-1-(2-methyl-1-oxopropoxy)propoxy]-oxomethyl]amino]butanoic acid
InChIKey JXTAALBWJQJLGN-KSSFIOAISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl