(3R)-3-(Fluoromethyl)-7-(4-Thiomorpholinylsulfonyl)-1,2,3,4-Tetrahydroisoquinoline

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Properties Simple | Detailed

Formula C14H19FN2O2S2
IUPAC Name 4-[[(3r)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]thiomorpholine
Molecular Mass 330.441 g·mol−1
Heat of Formation -422.4 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 367.09 Å 3
Surface Area 316.91 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(fluoromethyl)-7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinoline
  • (3r)-3-(fluoromethyl)-7-thiomorpholinosulfonyl-1,2,3,4-tetrahydroisoquinoline
  • f21
InChIKey SBUKSNPHYWXCDG-CYBMUJFWSA-N
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