Geometry & MOs

Info

ID:	8331
PubChem CID:	76570
Reduced:	SO8H14C15 (1)
Stoich.:	AB8C14D15 (1)
Weight, g/mol:	354.040939
ΔH_f, kcal/mol:	-283.13
Dipole, Da:	10.03
IP(EA), eV:	-9.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)O)O

DOS

IR

Vibrations