N-{2-Fluoro-5-[({4-[(Z)-(4-Oxo-2-Thioxo-1,3-Thiazolidin-5-Ylidene)Methyl]Phenyl}Amino)Methyl]Benzoyl}Glutamic Acid

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Properties Simple | Detailed

Formula C23H20FN3O6S2
IUPAC Name (2r)-2-[[2-fluoro-5-[[4-[(z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]anilino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 517.550 g·mol−1
Heat of Formation -955.7 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 570.2 Å 3
Surface Area 505.63 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
InChIKey NEGUDZMAJDITEM-RMFUMNGISA-N
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