N-[(2S)-2-Benzyl-3-Sulfanylpropanoyl]-β-Alanine
Properties
| Property | Value |
|---|---|
| Formula | C13H17NO3S |
| IUPAC Name | 3-[[(2s)-2-benzyl-3-sulfanyl-propanoyl]amino]propanoic acid |
| Molecular Mass | 267.344 g·mol−1 |
| Heat of Formation | -562.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.27 ± 1.08 D |
| Volume | 322.88 Å 3 |
| Surface Area | 268.96 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | -0.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZCTDTVUDURCGFX-LLVKDONJSA-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 |