(2S)-2-[[(5Z)-5-[(5-Ethyl-2-Furyl)Methylene]-4-Oxo-Thiazol-3-Ium-2-Yl]Amino]-2-(4-Fluorophenyl)-N-(4-Nitrophenyl)Sulfonyl-Acetamide

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Properties Simple | Detailed

Formula C24H19FN4O7S2
IUPAC Name (2s)-2-[[(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-thiazol-3-ium-2-yl]amino]-2-(4-fluorophenyl)-n-(4-nitrophenyl)sulfonyl-acetamide
Molecular Mass 558.559 g·mol−1
Heat of Formation -581.6 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 598.55 Å 3
Surface Area 498.52 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -2.35 ± eV
Point Group Symmetry C1
InChIKey DLEMIVQYEZLIST-MSTPFNHUSA-N
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