Cxd

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Properties Simple | Detailed

Formula C16H19N3O5S
IUPAC Name (6r,7r)-7-[[(2r)-2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 365.404 g·mol−1
Heat of Formation -541.6 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 412.84 Å 3
Surface Area 342.67 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2r)-2-amino-2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-(1-cyclohexa-1,4-dienyl)acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-(1-cyclohexa-1,4-dienyl)acetyl]amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-(1-cyclohexa-1,4-dienyl)ethanoyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-{[(2r)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • cefroxadine (usan)
  • cefthan-ds
  • d01528
CAS Number(s)
  • 51762-05-1
InChIKey RDMOROXKXONCAL-UEKVPHQBSA-N
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