Geometry & MOs

Info

ID:	81756
PubChem CID:	49855103
Reduced:	SO5C25H34 (1)
Stoich.:	AB5C25D34 (1)
Weight, g/mol:	456.092886
ΔH_f, kcal/mol:	-207.91
Dipole, Da:	1.6
IP(EA), eV:	-8.36(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(3,4-dichlorophenoxy)methyl]butylsulfanyl]-2-methylphenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations