Geometry & MOs

Info

ID:	15173
PubChem CID:	432068
Reduced:	SO5C9H10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	230.024895
ΔH_f, kcal/mol:	-202.66
Dipole, Da:	3.38
IP(EA), eV:	-10.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-3-sulfobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations