Geometry & MOs

Info

ID:	424131
PubChem CID:	135121439
Reduced:	NaO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	278.009638
ΔH_f, kcal/mol:	-265.64
Dipole, Da:	10.65
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sulfo 4-hydroxy-3,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C[C@@H](CCC(=O)[O-])O)O)O.[Na+]

DOS

IR

Vibrations