Geometry & MOs

Info

ID:

223835

PubChem CID:

85335638

Reduced:

O7C14H16 (2)

Stoich.:

A7B14C16 (2)

Weight, g/mol:

593.10507

ΔHf, kcal/mol:

-554.41

Dipole, Da:

6.41

IP(EA), eV:

 -9.3(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[1-[5-[(2-chloro-6-fluorophenoxy)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-2-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1C(OC(C(C1O)O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)C

DOS

IR

Vibrations