N-{(2S,3R,5S)-1-(3-Bromophenyl)-5-[(4-Fluorophenyl)Sulfonyl]-3-Hydroxy-7-Methyl-2-Octanyl}-2-(2,6-Dimethylphenoxy)Acetamide

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Formula C31H37BrFNO5S
IUPAC Name n-[(1s,2r,4s)-1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-hydroxy-6-methyl-heptyl]-2-(2,6-dimethylphenoxy)acetamide
Molecular Mass 634.597 g·mol−1
Heat of Formation -973.3 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 717.24 Å 3
Surface Area 532.84 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • acetamide, n-[(1s,2r,4s)-1-[(3-bromophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl]-2-hydroxy-6-methylheptyl]-2-(2,6-dimethylphenoxy)-
  • hydroxyethylene sulfone 17b
  • n-{(1s)-1-(3-bromobenzyl)-4-[(4-bromophenyl)sulfonyl]-6-methyl-2-oxoheptyl}-2-(2,6-dimethylphenoxy)acetamide
  • rac-acetamide, n-[(1s,2r,4s)-1-[(3-bromophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl]-2-hydroxy-6-methylheptyl]-2-(2,6-dimethylphenoxy)-
InChIKey RVHWPGAHEOLZNT-YTCPBCGMSA-N
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Elements C F H O N S Br