Ivacaftor

Molecule SVG Image

Properties Simple | Detailed

Formula C24H28N2O3
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 392.491 g·mol−1
Heat of Formation -459.1 ± 16.7 kJ·mol−1
Dipole Moment 7.90 ± 1.08 D
Volume 476.38 Å 3
Surface Area 400.13 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 1.97 ± 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
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N