N-{3-[5-Hydroxy-2-(3-Methylbutyl)-3-Oxo-6-(1-Pyrrolidinyl)-2,3-Dihydro-4-Pyridazinyl]-1,1-Dioxido-2H-1,2,4-Benzothiadiazin-7-Yl}Methanesulfonamide

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Properties Simple | Detailed

Formula C21H28N6O6S2
IUPAC Name n-[(3z)-3-(2-isopentyl-3,5-dioxo-6-pyrrolidin-1-yl-pyridazin-4-ylidene)-1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
Molecular Mass 524.614 g·mol−1
Heat of Formation -820.9 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 563.73 Å 3
Surface Area 492.27 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey QUWPELVBLLLYGL-UHFFFAOYSA-N
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