Geometry & MOs

Info

ID:	297881
PubChem CID:	117636358
Reduced:	SO5C20H24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	334.087495
ΔH_f, kcal/mol:	-210.07
Dipole, Da:	4.35
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-dihydroxyphenyl)sulfanyl-5-hydroxyphenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)CCCCCCCC(=O)O)SC2=C(C=C(C=C2)O)O

DOS

IR

Vibrations