3-{[2-Benzyl-3-(Propionylsulfanyl)Propanoyl]Amino}-5-Methylbenzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H23NO4S |
| IUPAC Name | 3-[[(2s)-2-benzyl-3-propanoylsulfanyl-propanoyl]amino]-5-methyl-benzoic acid |
| Molecular Mass | 385.477 g·mol−1 |
| Heat of Formation | -623.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.87 ± 1.08 D |
| Volume | 458.64 Å 3 |
| Surface Area | 411.71 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -0.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VXXKXVZZQWCQQG-QGZVFWFLSA-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 |