Geometry & MOs

Info

ID:	51501
PubChem CID:	12014179
Reduced:	SO6H16C27 (1)
Stoich.:	AB6C16D27 (1)
Weight, g/mol:	368.035459
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	11.27
IP(EA), eV:	-8.73(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,7-dihydroxyxanthen-10-ium-9-yl)benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC3=C2C(=C4C5=CC=CC=C5C(=O)C=C4O3)C6=CC=CC=C6S(=O)(=O)O)O

DOS

IR

Vibrations