(5Z)-3-Ethyl-5-[(E,4Z)-4-[1-(3-Sulfopropyl)-2,3,5,6,7,8-Hexahydroquinoline-2,3,4A,5,6,7,8,8A-Octaid-4-Ylidene]But-2-Enylidene]-2-Thioxo-Oxazolidin-4-One

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Formula C21H33N2O5S2+
IUPAC Name (5z)-3-ethyl-5-[(e,4z)-4-[1-(3-sulfopropyl)-2,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaid-4-ylidene]but-2-enylidene]-2-thioxo-oxazolidin-4-one
Molecular Mass 457.627 g·mol−1
Heat of Formation -473.7 ± 16.7 kJ·mol−1
Dipole Moment 8.16 ± 1.08 D
Volume 507.63 Å 3
Surface Area 452.79 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
InChIKey WGLIBXQGQZSQEQ-QOSSCOQVSA-O
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