4-{3-[3-(3-Hydroxyoctyl)-4-Oxo-1,3-Thiazolidin-2-Yl]Propyl}Benzoic Acid

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Properties Simple | Detailed

Formula C21H31NO4S
IUPAC Name 4-[3-[(2s)-3-[(3r)-3-hydroxyoctyl]-4-oxo-thiazolidin-2-yl]propyl]benzoic acid
Molecular Mass 393.540 g·mol−1
Heat of Formation -832.9 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 501.68 Å 3
Surface Area 441.21 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey NDAXAJCKSWCWQI-QUCCMNQESA-N
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