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

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Properties Simple | Detailed

Formula C15H20N2O4S
IUPAC Name n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-methyl-ethanesulfonamide
Molecular Mass 324.395 g·mol−1
Heat of Formation -549.3 ± 16.7 kJ·mol−1
Dipole Moment 10.60 ± 1.08 D
Volume 376.77 Å 3
Surface Area 311.95 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 293b cpd
  • 6-cyano-4-(n-ethylsulfonyl-n-methylamino)-3-hydroxy-2,2-dimethylchromane
  • ethanesulfonamide, n-((3r,4s)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2h-1-benzopyran-4-yl)-n-methyl-, rel-
  • n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-4-chromanyl]-n-methylethanesulfonamide
  • n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-methyl-ethanesulfonamide
  • n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl]-n-methylethanesulfonamide
CAS Number(s)
  • 163163-23-3
InChIKey HVSJHHXUORMCGK-UONOGXRCSA-N
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