N-{(2R,3S)-3-[(3-Chlorobenzyl)Amino]-2-Hydroxy-4-Phenylbutyl}-4-Methoxy-2,3,6-Trimethylbenzenesulfonamide

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Formula C27H33ClN2O4S
IUPAC Name n-[(2r,3s)-3-[(3-chlorophenyl)methylamino]-2-hydroxy-4-phenyl-butyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide
Molecular Mass 517.080 g·mol−1
Heat of Formation -562.3 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 617.58 Å 3
Surface Area 510.37 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • c5m
  • n-[(2r,3s)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenyl-butyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide
  • n-[(2r,3s)-3-[(3-chlorophenyl)methylamino]-2-hydroxy-4-phenyl-butyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide
  • n-[(2r,3s)-3-[(3-chlorophenyl)methylamino]-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
InChIKey NMWFFNHLGKDPOV-LOSJGSFVSA-N
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