(2S,5R,6Z)-6-(Methoxymethylene)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Formula C10H13NO4S
IUPAC Name (2s,5r,6z)-6-(methoxymethylene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 243.280 g·mol−1
Heat of Formation -528.5 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 277.36 Å 3
Surface Area 247.88 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6z)-6-(methoxymethylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6z)-7-keto-6-(methoxymethylene)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6-(methyoxymethylene)penicillanic acid
  • 6-mmpc
CAS Number(s)
  • 93040-42-7
InChIKey PRRZHIROMDJJKW-RVLTZIEQSA-N
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