N-(4-{2-[2-Methoxy-3-(2-Methyl-2-Propanyl)-5-(2-Oxo-1,2-Dihydro-3-Pyridinyl)Phenyl]Ethyl}Phenyl)Methanesulfonamide

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Properties Simple | Detailed

Formula C25H30N2O4S+
IUPAC Name n-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxopyridin-1-ium-3-id-3-yl)phenyl]ethyl]phenyl]methanesulfonamide
Molecular Mass 454.582 g·mol−1
Heat of Formation -543.8 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 545.44 Å 3
Surface Area 459.49 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey VQCSFAUVYAVXEJ-UHFFFAOYSA-N
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