3-Mercapto-1-(1,3,4,9-Tetrahydro-B-Carbolin-2-Yl)-Propan-1-One

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Properties Simple | Detailed

Formula C14H16N2OS
IUPAC Name 1-(3,4-dihydro-1h-pyrido[3,4-b]indol-9-ium-9a-ylium-2-yl)-3-sulfanyl-propan-1-one
Molecular Mass 260.355 g·mol−1
Heat of Formation -16.5 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 310.28 Å 3
Surface Area 283.02 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3-mercapto-1-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)propan-1-one
  • 3-mercapto-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
  • 3-sulfanyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
  • mhc
InChIKey UGWLHSPOMCORRH-UHFFFAOYSA-N
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