Geometry & MOs

Info

ID:	8242
PubChem CID:	75613
Reduced:	SCl2H4O4C7 (1)
Stoich.:	AB2C4D4E7 (1)
Weight, g/mol:	253.920735
ΔH_f, kcal/mol:	-142.64
Dipole, Da:	6.81
IP(EA), eV:	-10.94(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-chlorosulfonylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Cl

DOS

IR

Vibrations