(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

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Properties Simple | Detailed

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
  • (5r,6z)-6-[(1-methyl-1,2,3-triazol-4-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6z)-6-[(1-methyl-4-triazolyl)methylene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6z)-6-[(1-methyltriazol-4-yl)methylene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6z)-7-keto-6-[(1-methyltriazol-4-yl)methylene]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChIKey DFFVJNWUKHDODC-MEHWWPQUSA-N
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