4-{3-[3-(3-Hydroxyoctyl)-4-Oxo-1,3-Thiazolidin-2-Yl]Propyl}Benzoic Acid
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |