3-{2-Fluoro-4-[({4'-[(4-Hydroxy-1,1-Dioxidotetrahydro-2H-Thiopyran-4-Yl)Methoxy]-2',6'-Dimethyl-3-Biphenylyl}Methyl)Amino]Phenyl}Propanoic Acid
Properties
Property | Value |
---|---|
Formula | C30H34FNO6S |
IUPAC Name | 3-[2-fluoro-4-[[3-[4-[(4-hydroxy-1,1-dioxo-thian-4-yl)methoxy]-2,6-dimethyl-phenyl]phenyl]methylamino]phenyl]propanoic acid |
Molecular Mass | 555.657 g·mol−1 |
Heat of Formation | -1160.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.66 ± 1.08 D |
Volume | 655.95 Å 3 |
Surface Area | 556.2 Å 2 |
HOMO Energy | -8.61 ± 0.55 eV |
LUMO Energy | -0.39 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | AFHOJMBCVQFAGV-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |