N-[(2S)-2-Benzyl-3-Sulfanylpropanoyl]Glycine

Molecule SVG Image

Properties Simple | Detailed

Formula C12H15NO3S
IUPAC Name 2-[[(2s)-2-benzyl-3-sulfanyl-propanoyl]amino]acetic acid
Molecular Mass 253.317 g·mol−1
Heat of Formation -504.6 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 307.99 Å 3
Surface Area 269.85 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2-mercaptomethyl-3-phenyl-propionyl)-glycine
  • tio
InChIKey LJJKNPQAGWVLDQ-SNVBAGLBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N