N-(4-{3-[Methyl(2-Quinolinylmethyl)Amino]-3-Phenoxypropoxy}Phenyl)Methanesulfonamide

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Formula C27H30N3O4S
IUPAC Name n-[4-[(3s)-3-[methyl(quinolin-1-ium-4a-id-2-ylmethyl)amino]-3-phenoxy-propoxy]phenyl]methanesulfonamide
Molecular Mass 492.610 g·mol−1
Heat of Formation -292.1 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 588.84 Å 3
Surface Area 471.97 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey ABIPQBVPOLXIKQ-HHHXNRCGSA-N
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