Formula |
C24H32N2O2S |
IUPAC Name |
4-[3-[[(2r,4r)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1h-isoquinolin-7-yl]oxy]propyl]morpholine |
Molecular Mass |
412.588 g·mol−1 |
Heat of Formation |
-138.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.96 ± 1.08 D |
Volume |
515.37 Å 3 |
Surface Area |
454.3 Å 2 |
HOMO Energy |
-8.24 ± 0.55 eV |
LUMO Energy |
2.98 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XYYGFCDTBHAUSN-XMMPIXPASA-N |
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Elements |
H
S
C
O
N
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