Formula |
C24H36N4O2S |
IUPAC Name |
n-[(1r,3s)-5-hydroxy-2-adamantyl]-6-(4-methylpiperazin-1-yl)-2-propylsulfanyl-pyridine-3-carboxamide |
Molecular Mass |
444.633 g·mol−1 |
Heat of Formation |
-352.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.26 ± 1.08 D |
Volume |
544.8 Å 3 |
Surface Area |
453.37 Å 2 |
HOMO Energy |
-8.10 ± 0.55 eV |
LUMO Energy |
-0.10 ± eV |
Point Group Symmetry |
C1
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InChIKey |
HCCPSOBZLRHGQN-OREAVBJWSA-N |
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Elements |
H
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N
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