(6R,7R)-7-Amino-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Formula C8H10N2O3S
IUPAC Name (6r,7r)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 214.242 g·mol−1
Heat of Formation -342.5 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 233.93 Å 3
Surface Area 215.77 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-amino-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-adca
  • 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
CAS Number(s)
  • 26395-99-3
InChIKey NVIAYEIXYQCDAN-CLZZGJSISA-N
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