Geometry & MOs

Info

ID:	231576
PubChem CID:	87574175
Reduced:	S2O5C37H44 (1)
Stoich.:	A2B5C37D44 (1)
Weight, g/mol:	228.04563
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	6.97
IP(EA), eV:	-8.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-2-(sulfanylmethyl)benzoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OS(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OCCOC=C)C(C)C

DOS

IR

Vibrations