N-Acetyl-S-{[(4-Cyanophenyl)Amino]Methyl}-L-Cysteine
Properties
Property | Value |
---|---|
Formula | C13H15N3O3S |
IUPAC Name | (2s)-2-acetamido-3-[(4-cyanoanilino)methylsulfanyl]propanoic acid |
Molecular Mass | 293.341 g·mol−1 |
Heat of Formation | -344.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.18 ± 1.08 D |
Volume | 346.47 Å 3 |
Surface Area | 319.71 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | 2.25 ± eV |
Point Group Symmetry | C1 |
InChIKey | YBDZQNQPSNNEHQ-GFCCVEGCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |