Geometry & MOs

Info

ID:

311156

PubChem CID:

126589652

Reduced:

ClS2F4O4H25C27 (1)

Stoich.:

AB2C4D4E25F27 (1)

Weight, g/mol:

535.185101

ΔHf, kcal/mol:

-302.55

Dipole, Da:

5.93

IP(EA), eV:

 -9.07(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyclopropylsulfanyl-3-[3-[[4-(5,5-dimethylcyclopenten-1-yl)-5-(2-methoxypyridin-4-yl)thiophen-3-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(SC(=C1COC2=CC=CC(=C2)C(CC(=O)O)SC3CC3)Cl)C4=C(C=CC(=C4)OC)F)C(F)(F)F

DOS

IR

Vibrations