Ivacaftor

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Properties Simple | Detailed

Formula C24H43N2O3+
IUPAC Name n-(2,4-ditert-butyl-5-hydroxy-cyclohexyl)-4-oxo-1,2,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxamide
Molecular Mass 407.610 g·mol−1
Heat of Formation -458.5 ± 16.7 kJ·mol−1
Dipole Moment 8.07 ± 1.08 D
Volume 473.54 Å 3
Surface Area 400.4 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • n-(2,4-ditert-butyl-5-hydroxy-phenyl)-4-keto-1h-quinoline-3-carboxamide
  • n-(2,4-ditert-butyl-5-hydroxy-phenyl)-4-oxo-1h-quinoline-3-carboxamide
  • n-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1h-quinoline-3-carboxamide
InChIKey PURKAOJPTOLRMP-UHFFFAOYSA-N
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