N-{3-[5-Hydroxy-8-(3-Methylbutyl)-7-Oxo-7,8-Dihydroimidazo[1,2-A]Pyrimidin-6-Yl]-1,1-Dioxido-2H-1,2,4-Benzothiadiazin-7-Yl}Methanesulfonamide

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Properties Simple | Detailed

Formula C19H23N6O6S2++
IUPAC Name n-[3-(5-hydroxy-8-isopentyl-7-oxo-imidazo[1,2-a]pyrimidine-4,8-diium-6-yl)-1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
Molecular Mass 495.553 g·mol−1
Heat of Formation -682.6 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 521.39 Å 3
Surface Area 450.8 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey HJSHQVOBZCLIRI-UHFFFAOYSA-N
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