N-[(5Ar,6R)-1,7-Dioxo-1,4,6,7-Tetrahydro-3H,5Ah-Azeto[2,1-B]Furo[3,4-D][1,3]Thiazin-6-Yl]-2-(4-Pyridinylsulfanyl)Acetamide

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Properties Simple | Detailed

Formula C15H13N3O4S2
IUPAC Name n-[(4r,5r)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-(4-pyridylsulfanyl)acetamide
Molecular Mass 363.411 g·mol−1
Heat of Formation -282.2 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 389.31 Å 3
Surface Area 293.23 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-(((4-pyridylthio)acetyl)amino)-2-aza-8-furo-9,10-oxo-4-thiatricyclo(7.2.2.0)undeca-1-ene
  • acetamide, 2-(4-pyridinylthio)-n-(1,4,5a,6-tetrahydro-1,7-dioxo-3h,7h-azeto(2,1-b)furo(3,4-d)(1,3)thiazin-6-yl)-, (6r-trans)-
  • cephapirin lactone
  • deacetylcephapirin lactone
CAS Number(s)
  • 60517-75-1
InChIKey LINJTNNYPFWNIF-BXUZGUMPSA-N
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