Formula |
C23H28N2O5S |
IUPAC Name |
8-hydroxy-5-[(1r)-1-hydroxy-2-[2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethylamino]ethyl]quinolin-2-one |
Molecular Mass |
444.544 g·mol−1 |
Heat of Formation |
-650.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.38 ± 1.08 D |
Volume |
528.58 Å 3 |
Surface Area |
478.05 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
1.97 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WAQRESHSGHIXBV-IBGZPJMESA-N |
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Elements |
H
C
S
O
N
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