[2-Oxo-3-(Sulfanylmethyl)-3,4,5,6-Tetrahydro-1-Benzazocin-1(2H)-Yl]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H17NO3S |
| IUPAC Name | 2-[(3s)-2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid |
| Molecular Mass | 279.355 g·mol−1 |
| Heat of Formation | -510.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.84 ± 1.08 D |
| Volume | 330.98 Å 3 |
| Surface Area | 275.8 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -0.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FPTWLWWJSWADQC-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 |