N-{(3Z)-3-[4-Methyl-4-(3-Methylbutyl)-1,3-Dioxo-3,4-Dihydro-2(1H)-Naphthalenylidene]-1,1-Dioxido-3,4-Dihydro-2H-1,2,4-Benzothiadiazin-7-Yl}Methanesulfonamide

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Properties Simple | Detailed

Formula C24H27N3O6S2
IUPAC Name n-[(3z)-3-[(4r)-4-isopentyl-4-methyl-1,3-dioxo-tetralin-2-ylidene]-1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
Molecular Mass 517.618 g·mol−1
Heat of Formation -904.4 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 567.86 Å 3
Surface Area 473.77 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey XZZOUUGEEZOPHT-GWKWPMJISA-N
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