N-(4-{(E)-2-[2-Methoxy-3-(2-Methyl-2-Propanyl)-5-(3-Oxo-2,3-Dihydro-4-Pyridazinyl)Phenyl]Vinyl}Phenyl)Methanesulfonamide

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Properties Simple | Detailed

Formula C24H27N3O4S
IUPAC Name n-[4-[(e)-2-[3-tert-butyl-2-methoxy-5-(3-oxopyridazin-2-ium-4-id-4-yl)phenyl]vinyl]phenyl]methanesulfonamide
Molecular Mass 453.554 g·mol−1
Heat of Formation -352.9 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 534.07 Å 3
Surface Area 455.61 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey UDTIOWUJACSSAD-RMKNXTFCSA-N
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