N-{3-[4-Hydroxy-1-(3-Methylbutyl)-2-Oxo-1,2-Dihydropyrrolo[1,2-B]Pyridazin-3-Yl]-1,1-Dioxido-2H-1,2,4-Benzothiadiazin-7-Yl}Methanesulfonamide

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Properties Simple | Detailed

Formula C20H27N5O6S2
IUPAC Name n-[(3z)-3-(1-isopentyl-2,4-dioxo-6,7-dihydro-5h-pyrrolo[1,2-b]pyridazine-4a,5,6,7-tetraid-3-ylidene)-1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
Molecular Mass 497.588 g·mol−1
Heat of Formation -719.3 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 524.4 Å 3
Surface Area 447.77 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey FTVCONULIKITPZ-UHFFFAOYSA-N
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