(3R)-N-(4-Chlorophenyl)-3-(Hydroxymethyl)-1,2,3,4-Tetrahydro-7-Isoquinolinesulfonamide

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Properties Simple | Detailed

Formula C16H17ClN2O3S
IUPAC Name (3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Molecular Mass 352.836 g·mol−1
Heat of Formation -354.9 ± 16.7 kJ·mol−1
Dipole Moment 5.93 ± 1.08 D
Volume 386.86 Å 3
Surface Area 337.61 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
  • (3r)-n-(4-chlorophenyl)-3-methylol-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
  • f83
InChIKey YTBGBMPLINFTBQ-OAHLLOKOSA-N
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Elements C Cl H O N S