N-{4-[(2R)-3-{[2-(3,4-Dichlorophenyl)Ethyl](Methyl)Amino}-2-Hydroxypropoxy]Phenyl}Methanesulfonamide

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Properties Simple | Detailed

Formula C19H24Cl2N2O4S
IUPAC Name n-[4-[(2r)-3-[2-(3,4-dichlorophenyl)ethyl-methyl-amino]-2-hydroxy-propoxy]phenyl]methanesulfonamide
Molecular Mass 447.376 g·mol−1
Heat of Formation -675.2 ± 16.7 kJ·mol−1
Dipole Moment 7.44 ± 1.08 D
Volume 491.63 Å 3
Surface Area 363.27 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(2r)-3-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
InChIKey BQBSHJUQVIWEFM-MRXNPFEDSA-N
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Elements C Cl H O N S