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

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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 -720.4 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 522.1 Å 3
Surface Area 448.06 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.72 ± eV
Point Group Symmetry C1
InChIKey JINUEJBVQLKBJR-UHFFFAOYSA-O
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