Geometry & MOs

Info

ID:	81685
PubChem CID:	49855011
Reduced:	SF3O6C23H27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	438.126773
ΔH_f, kcal/mol:	-390.64
Dipole, Da:	5.11
IP(EA), eV:	-8.97(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-chlorophenoxy)-2-ethoxypropyl]sulfanyl-2-methylphenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(COC1=CC=C(C=C1)OC(F)(F)F)CSC2=CC(=C(C=C2)OC(C)(C)C(=O)O)C

DOS

IR

Vibrations