(3Z,5Z,7S,8R)-3-(Acetoxymethyl)-7-Formyl-8-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-7,8-Dihydro-2H-1,5-Thiazocine-4-Carboxylic Acid 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C16H21NO9S |
| IUPAC Name | (2r,3s,4z,6z)-7-(acetoxymethyl)-2-tert-butoxycarbonyl-3-formyl-1,1-dioxo-3,8-dihydro-2h-1,5-thiazocine-6-carboxylic acid |
| Molecular Mass | 403.404 g·mol−1 |
| Heat of Formation | -1510.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.95 ± 1.08 D |
| Volume | 445.88 Å 3 |
| Surface Area | 350.63 Å 2 |
| HOMO Energy | -9.98 ± 0.55 eV |
| LUMO Energy | -1.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YIHDWMIOGFYWHU-GNOJNHLBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |