Geometry & MOs

Info

ID:	7981
PubChem CID:	74562
Reduced:	SO6H10C14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	306.019809
ΔH_f, kcal/mol:	-209.19
Dipole, Da:	9.37
IP(EA), eV:	-9.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-carboxy-4-hydroxyphenyl)sulfanyl-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O

DOS

IR

Vibrations