1-(4-Hydroxyphenyl)-2-Phenyl-4-(2-(Phenylthio)Ethyl)-3,5-Pyrazolidinedione

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Properties Simple | Detailed

Formula C23H20N2O3S
IUPAC Name (4s)-1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione
Molecular Mass 404.482 g·mol−1
Heat of Formation -103.7 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 472.8 Å 3
Surface Area 355.3 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey ZINXZZBZWUOJNZ-NRFANRHFSA-N
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