(2S,5R,6S)-6-Chloro-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 4-Oxide
Properties
Property | Value |
---|---|
Formula | C8H10ClNO4S |
IUPAC Name | (2s,4s,5r,6s)-6-chloro-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Molecular Mass | 251.687 g·mol−1 |
Heat of Formation | -598.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.56 ± 1.08 D |
Volume | 258.23 Å 3 |
Surface Area | 226.74 Å 2 |
HOMO Energy | -9.42 ± 0.55 eV |
LUMO Energy | 2.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | HLDIDPSLBNPWBL-KRZHBETKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |