Geometry & MOs

Info

ID:	192889
PubChem CID:	78322378
Reduced:	ClSO4H15C23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	406.087495
ΔH_f, kcal/mol:	-67.15
Dipole, Da:	7.69
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)/C=C/C(=O)O)Cl

DOS

IR

Vibrations