2-{1-[(2-Acetamido-2-Carboxylatoethyl)Sulfanyl]-2H-Isoindol-2-Yl}-3-Methylbutanoate
Properties
| Property | Value |
|---|---|
| Formula | C18H22N2O5S |
| IUPAC Name | (2s)-2-[1-[(2r)-2-acetamido-2-carboxy-ethyl]sulfanylisoindol-2-yl]-3-methyl-butanoic acid |
| Molecular Mass | 378.443 g·mol−1 |
| Heat of Formation | -831.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.41 ± 1.08 D |
| Volume | 450.47 Å 3 |
| Surface Area | 364.1 Å 2 |
| HOMO Energy | -8.34 ± 0.55 eV |
| LUMO Energy | -0.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DLQUETFHQQTKAC-GJZGRUSLSA-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 |