[4-(5-Chloroindol-1-Ium-7A-Ylium-2-Yl)Sulfonylpiperazin-1-Yl]-(4-Oxido-3,5,6,7-Tetrahydrothieno[3,2-B]Pyridine-2,3,3A,5,6,7,7A-Heptaid-2-Yl)Methanone

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Formula C20H25ClN4O4S2+
IUPAC Name [4-(5-chloroindol-1-ium-7a-ylium-2-yl)sulfonylpiperazin-1-yl]-(4-oxido-3,5,6,7-tetrahydrothieno[3,2-b]pyridine-2,3,3a,5,6,7,7a-heptaid-2-yl)methanone
Molecular Mass 485.020 g·mol−1
Heat of Formation -145.7 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 498.9 Å 3
Surface Area 425.66 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey UKEVLAQMMLEEDP-UHFFFAOYSA-N
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