Geometry & MOs

Info

ID:	8385
PubChem CID:	76992
Reduced:	SO3C9H12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	200.050715
ΔH_f, kcal/mol:	-135.18
Dipole, Da:	5.39
IP(EA), eV:	-9.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trimethylbenzenesulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations