N-[(1R,2S,3S,5S,7S)-5-Hydroxyadamantan-2-Yl]-6-(4-Methyl-1-Piperazinyl)-2-(Propylsulfanyl)Nicotinamide

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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
InChIKey HCCPSOBZLRHGQN-OREAVBJWSA-N
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