Geometry & MOs

Info

ID:	51502
PubChem CID:	12014180
Reduced:	SO6H12C19 (1)
Stoich.:	AB6C12D19 (1)
Weight, g/mol:	369.043284
ΔH_f, kcal/mol:	-157.01
Dipole, Da:	5.66
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,7-dihydroxyxanthen-10-ium-9-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=C(C=CC3=[O+]C4=C2C=C(C=C4)O)O)S(=O)(=O)[O-]

DOS

IR

Vibrations