Formula |
C31H29F3O5S |
IUPAC Name |
2-[8-[2-pent-2-ynoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyltetralin-5-yl]oxyacetic acid |
Molecular Mass |
570.619 g·mol−1 |
Heat of Formation |
-1115.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.81 ± 1.08 D |
Volume |
649.05 Å 3 |
Surface Area |
521.88 Å 2 |
HOMO Energy |
-8.01 ± 0.55 eV |
LUMO Energy |
2.47 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SIHDSSYICQEWRS-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
S
O
F
|
|
|