Geometry & MOs

Info

ID:	7107
PubChem CID:	71229
Reduced:	S2O8C15H16 (1)
Stoich.:	A2B8C15D16 (1)
Weight, g/mol:	388.02866
ΔH_f, kcal/mol:	-323.41
Dipole, Da:	7.03
IP(EA), eV:	-9.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2=CC(=C(C=C2C)O)S(=O)(=O)O)S(=O)(=O)O)O

DOS

IR

Vibrations