(2Z,5Z)-5-[(5-Ethyl-2-Furyl)Methylene]-2-{[(4-Fluorophenyl)(1H-Tetrazol-5-Yl)Methyl]Imino}-1,3-Thiazolidin-4-One

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Properties Simple | Detailed

Formula C18H15FN6O2S
IUPAC Name (5z)-2-[[(s)-2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-yl-(4-fluorophenyl)methyl]amino]-5-[(2-ethyl-3h-furan-1-ium-3-id-5-yl)methylene]thiazol-4-one
Molecular Mass 398.414 g·mol−1
Heat of Formation 165.1 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 441.5 Å 3
Surface Area 395.77 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey BKZOQCGDCHOGOQ-MZLJFPOFSA-N
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