Mavacoxib

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Properties Simple | Detailed

Formula C16H11F4N3O2S
IUPAC Name 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]benzenesulfonamide
Molecular Mass 385.336 g·mol−1
Heat of Formation -764.9 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 390.68 Å 3
Surface Area 344.55 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide
  • 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
  • d04863
  • mavacoxib (usan)
CAS Number(s)
  • 170569-88-7
InChIKey TTZNQDOUNXBMJV-UHFFFAOYSA-N
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