Geometry & MOs

Info

ID:	9529
PubChem CID:	90559
Reduced:	SO3H5C7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	337.99188
ΔH_f, kcal/mol:	-216.86
Dipole, Da:	6.51
IP(EA), eV:	-9.3(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-carboxy-4-hydroxyphenyl)disulfanyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SSC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O

DOS

IR

Vibrations