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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Elements |
H
S
C
O
N
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