Ethyl (3S)-2-{[5-(Methylsulfanyl)-2-Thienyl]Carbonyl}-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylate

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Properties Simple | Detailed

Formula C18H19NO3S2
IUPAC Name ethyl (3s)-2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1h-isoquinoline-3-carboxylate
Molecular Mass 361.478 g·mol−1
Heat of Formation -336.3 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 413.07 Å 3
Surface Area 363.46 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey UIEBLUZPSFAFOC-AWEZNQCLSA-N
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