Formula |
C19H25NO5S |
IUPAC Name |
4-[(1r)-1-hydroxy-2-[2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethylamino]ethyl]benzene-1,2-diol |
Molecular Mass |
379.471 g·mol−1 |
Heat of Formation |
-695.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.07 ± 1.08 D |
Volume |
455.87 Å 3 |
Surface Area |
421.93 Å 2 |
HOMO Energy |
-8.43 ± 0.55 eV |
LUMO Energy |
2.58 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ABMSPPLJHILUDP-KRWDZBQOSA-N |
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Elements |
H
C
S
O
N
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