Formula |
C31H45N3O4S |
IUPAC Name |
(5s,7r)-n-[8-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]octyl]-3-hydroxy-adamantane-1-carboxamide |
Molecular Mass |
555.772 g·mol−1 |
Heat of Formation |
-751.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.11 ± 1.08 D |
Volume |
692.93 Å 3 |
Surface Area |
586.36 Å 2 |
HOMO Energy |
-9.11 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QYUIKZYGGOEEAP-DAYYVEFESA-N |
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Elements |
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