3-[(2R)-1-[(3'-Nitro-4-Biphenylyl)Oxy]-4-(4-Pyridinyl)-2-Butanyl]-1,3-Thiazolidine-2,4-Dione

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Properties Simple | Detailed

Formula C24H22N3O5S
IUPAC Name 3-[(1r)-1-[[4-(3-nitrophenyl)phenoxy]methyl]-3-(3h-pyridin-1-ium-3-id-4-yl)propyl]thiazolidine-2,4-dione
Molecular Mass 464.514 g·mol−1
Heat of Formation -218.3 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 532.42 Å 3
Surface Area 451.96 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
InChIKey VQEHBLGYANQWEA-OAQYLSRUSA-N
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