6-Bromo-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 4-Oxide
Properties
Property | Value |
---|---|
Formula | C8H10BrNO4S |
IUPAC Name | (2r,4r,5s,6r)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Molecular Mass | 296.138 g·mol−1 |
Heat of Formation | -545.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.21 ± 1.08 D |
Volume | 266.11 Å 3 |
Surface Area | 231.94 Å 2 |
HOMO Energy | -9.38 ± 0.55 eV |
LUMO Energy | 2.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | LNXWCZHUJOCCBY-HTRXTINCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N S Br |