[2-Oxo-3-(Sulfanylmethyl)-2,3,4,5-Tetrahydro-1H-1-Benzazepin-1-Yl]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C13H15NO3S |
| IUPAC Name | 2-[(3s)-2-oxo-3-(sulfanylmethyl)-4,5-dihydro-3h-1-benzazepin-1-yl]acetic acid |
| Molecular Mass | 265.328 g·mol−1 |
| Heat of Formation | -480.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.78 ± 1.08 D |
| Volume | 306.55 Å 3 |
| Surface Area | 261.08 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -0.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | POKJPDPLOMMJRU-SNVBAGLBSA-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 |