(3R)-2-(4-Biphenylylsulfonyl)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C22H19NO4S
IUPAC Name (2r,3r)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
Molecular Mass 393.456 g·mol−1
Heat of Formation -404.3 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 445.0 Å 3
Surface Area 380.03 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid
  • 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
  • bsi
InChIKey BNVMUDXGABBWGP-OAQYLSRUSA-N
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