(5R,6Z)-6-[(1-Methyl-1H-1,2,3-Triazol-4-Yl)Methylene]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C10H8N4O3S |
IUPAC Name | (5r,6z)-6-[(1-methyltriazol-4-yl)methylene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
Molecular Mass | 264.261 g·mol−1 |
Heat of Formation | 56.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.76 ± 1.08 D |
Volume | 281.51 Å 3 |
Surface Area | 263.0 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | 1.78 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | DFFVJNWUKHDODC-MEHWWPQUSA-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 |