(1R,4R,5R)-5-[(R)-Phenylsulfinyl]Bicyclo[2.2.1]Hept-2-Ene

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Properties Simple | Detailed

Formula C13H14OS
IUPAC Name (1r,4r,5r)-5-[(r)-phenylsulfinyl]bicyclo[2.2.1]hept-2-ene
Molecular Mass 218.315 g·mol−1
Heat of Formation 124.4 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 260.89 Å 3
Surface Area 233.44 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4r,6r)-6-[(r)-phenylsulfinyl]bicyclo[2.2.1]hept-2-ene
  • bhps
  • bicyclo(2.2.1)hept-5-en-2-yl phenyl sulfoxide
CAS Number(s)
  • 120409-13-4
InChIKey SQXKJUHCNBLQNF-OICBVUGWSA-N
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