N-(4-{(1S)-4-[Ethyl(6-Fluoro-6-Methylheptyl)Amino]-1-Hydroxybutyl}Phenyl)Methanesulfonamide

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Properties Simple | Detailed

Formula C21H37FN2O3S
IUPAC Name n-[4-[(1s)-4-[ethyl-(6-fluoro-6-methyl-heptyl)amino]-1-hydroxy-butyl]phenyl]methanesulfonamide
Molecular Mass 416.593 g·mol−1
Heat of Formation -900.2 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 545.58 Å 3
Surface Area 451.61 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(1s)-4-[ethyl-(6-fluoro-6-methyl-heptyl)amino]-1-hydroxy-butyl]phenyl]methanesulfonamide
  • n-[4-[(1s)-4-[ethyl-(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
InChIKey RPQUKWBLAHJOPX-FQEVSTJZSA-N
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