8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]Benzothiazine 4,4-Dioxide

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Formula C18H17N3O2S
IUPAC Name (5r)-8-(4-ethylphenyl)-5-methyl-3h-pyrazolo[4,3-c][2,1]benzothiazin-2-ium-3-ylium 4,4-dioxide
Molecular Mass 339.411 g·mol−1
Heat of Formation 17.6 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 381.61 Å 3
Surface Area 340.62 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey ISXAVIPPPMJTPN-UHFFFAOYSA-N
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