8-[(1H-Benzimidazol-2-Ylsulfinyl)Methyl]-1-Ethyl-1,2,3,4-Tetrahydroquinoline

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Properties Simple | Detailed

Formula C19H21N3OS
IUPAC Name (1r)-8-[[(s)-benzimidazol-1-ium-2-ylium-2-ylsulfinyl]methyl]-1-ethyl-3,4-dihydro-2h-quinoline
Molecular Mass 339.455 g·mol−1
Heat of Formation 139.3 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 402.76 Å 3
Surface Area 339.17 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey LZEHRLLBLAESEZ-DEOSSOPVSA-N
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