Geometry & MOs

Info

ID:	13417
PubChem CID:	230768
Reduced:	BrSO3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	263.94558
ΔH_f, kcal/mol:	-119.03
Dipole, Da:	4.68
IP(EA), eV:	-9.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2,4-dimethylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)S(=O)(=O)O)C)Br

DOS

IR

Vibrations