N-Desmethyldanofloxacin

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Properties Simple | Detailed

Formula C18H27FN3O3+
IUPAC Name 1-cyclopropyl-7-[(1s,2r,4s)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 352.424 g·mol−1
Heat of Formation -338.1 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 380.05 Å 3
Surface Area 329.05 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopropyl-7-[(1s,4s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-keto-quinoline-3-carboxylic acid
  • 1-cyclopropyl-7-[(1s,4s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 1-cyclopropyl-7-[(1s,4s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 1-cyclopropyl-7-[(1s,4s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChIKey LHZDPJRHQVYKPA-ONGXEEELSA-N
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