3-(1,1-Dioxido-4H-1,2,4-Benzothiadiazin-3-Yl)-4-Hydroxy-1-Isopentylquinolin-2(1H)-One

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Formula C21H21N3O4S+
IUPAC Name 3-(1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-isopentyl-quinolin-1-ium-3-id-2-one
Molecular Mass 411.474 g·mol−1
Heat of Formation -477.4 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 458.51 Å 3
Surface Area 397.8 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey MQFPIRFODWNQIO-UHFFFAOYSA-N
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