Geometry & MOs

Info

ID:	231691
PubChem CID:	87574457
Reduced:	SO5C21H22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	386.118795
ΔH_f, kcal/mol:	-161.88
Dipole, Da:	5.54
IP(EA), eV:	-8.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethylnaphthalen-1-yl)-2,3-dimethoxy-4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=CC(=CC3=C(C(=C(C=C23)OC)OC)C)C

DOS

IR

Vibrations