Cefazaflur

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Properties Simple | Detailed

Formula C13H13F3N6O4S3
IUPAC Name (6r,7r)-3-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 470.470 g·mol−1
Heat of Formation -798.3 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 477.35 Å 3
Surface Area 392.27 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[2-(trifluoromethylsulfanyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[[1-oxo-2-(trifluoromethylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-7-[[2-(trifluoromethylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey HGXLJRWXCXSEJO-GMSGAONNSA-N
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