3-(Acetylsulfanyl)-4-(Trimethylammonio)Butanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C9H18NO3S+
IUPAC Name (3s)-3-acetylsulfanyl-4-(trimethylammonio)butanoate
Molecular Mass 220.309 g·mol−1
Heat of Formation -472.9 ± 16.7 kJ·mol−1
Dipole Moment 12.59 ± 1.08 D
Volume 264.7 Å 3
Surface Area 230.95 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey IALPVLUNMRNJBE-QMMMGPOBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N