Geometry & MOs

Info

ID:	12308
PubChem CID:	134522
Reduced:	SO5H7C8 (2)
Stoich.:	AB5C7D8 (2)
Weight, g/mol:	430.002839
ΔH_f, kcal/mol:	-339.82
Dipole, Da:	1.05
IP(EA), eV:	-10.34(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2-[4-[4-(2-hydroxy-2-sulfoacetyl)phenyl]phenyl]-2-oxoethanesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O)C(=O)C(O)S(=O)(=O)O

DOS

IR

Vibrations