Ceftibuten

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Properties Simple | Detailed

Formula C15H14N4O6S2
IUPAC Name (6r,7r)-7-[[(z)-2-(2-aminothiazol-4-yl)-4-carboxy-but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 410.425 g·mol−1
Heat of Formation -676.2 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 430.72 Å 3
Surface Area 364.31 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(z)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxo-pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(z)-2-(2-amino-4-thiazolyl)-5-hydroxy-1,5-dioxopent-2-enyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(z)-2-(2-aminothiazol-4-yl)-5-hydroxy-5-keto-pent-2-enoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(z)-2-(2-aminothiazol-4-yl)-5-hydroxy-5-oxo-pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7432-s
  • ceftem
  • ceftibuten (usan/inn)
  • ceprifran
  • d00922
  • isocef
  • keimax
  • sch-39720
CAS Number(s)
  • 97519-39-6
InChIKey UNJFKXSSGBWRBZ-BJCIPQKHSA-N
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DOI
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