N-[(5R,6R)-2-Isopropylidene-3,7-Dioxo-4-Thia-1-Azabicyclo[3.2.0]Hept-6-Yl]-2-Phenoxyacetamide

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Properties Simple | Detailed

Formula C16H16N2O4S
IUPAC Name n-[(5r,6r)-2-isopropylidene-3,7-dioxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenoxy-acetamide
Molecular Mass 332.374 g·mol−1
Heat of Formation -360.1 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 375.17 Å 3
Surface Area 342.21 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(5r,6r)-2-isopropylidene-3,7-diketo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-(phenoxy)acetamide
  • n-[(5r,6r)-3,7-dioxo-2-propan-2-ylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-(phenoxy)acetamide
  • phenoxymethylanhydropenicillin
CAS Number(s)
  • 47295-33-0
InChIKey BRZUAOOYURQIIO-IUODEOHRSA-N
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