N-[(3R,4S)-3-Hydroxy-2,2-Dimethyl-6-(4,4,4-Trifluorobutoxy)-3,4-Dihydro-2H-Chromen-4-Yl]-N-Methylethanesulfonamide

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Formula C18H26F3NO5S
IUPAC Name n-[(3r,4s)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)chroman-4-yl]-n-methyl-ethanesulfonamide
Molecular Mass 425.463 g·mol−1
Heat of Formation -1596.5 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 477.54 Å 3
Surface Area 372.47 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3r,4s)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)-4-chromanyl]-n-methylethanesulfonamide
  • n-[(3r,4s)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)chroman-4-yl]-n-methyl-ethanesulfonamide
  • n-[(3r,4s)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)chroman-4-yl]-n-methylethanesulfonamide
InChIKey YBZQPPIQXNWGEX-JKSUJKDBSA-N
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