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

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Properties Simple | Detailed

Formula C22H24N4O6S3+
IUPAC Name n-[3-[5-hydroxy-2-isopentyl-3-oxo-6-(2-thienyl)pyridazin-2-ium-4-id-4-yl]-1,1-dioxo-2h-1λ6,4-benzothiazin-7-yl]methanesulfonamide
Molecular Mass 536.644 g·mol−1
Heat of Formation -617.8 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 577.2 Å 3
Surface Area 497.42 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey KLPXSYJOJCQFSY-UHFFFAOYSA-N
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