1(4H)-Quinolinebutanesulfonic Acid, 4-(4-(4-Oxo-3-Propyl-2-Thioxo-5-Thiazolidinylidene)-2-Butenylidene)-

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Properties Simple | Detailed

Formula C23H37N2O4S3+
IUPAC Name (5z)-3-propyl-5-[(e,4z)-4-[1-(4-sulfobutyl)-3h-quinolin-1-ium-3-id-4-ylidene]but-2-enylidene]-2-thioxo-thiazolidin-4-one
Molecular Mass 501.746 g·mol−1
Heat of Formation -373.9 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 567.21 Å 3
Surface Area 500.34 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
InChIKey JPYNZOOSSSFHQU-BWYJBQNESA-N
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