Geometry & MOs

Info

ID:	9479
PubChem CID:	89892
Reduced:	NSCl2H3O6C7 (1)
Stoich.:	ABC2D3E6F7 (1)
Weight, g/mol:	298.905813
ΔH_f, kcal/mol:	-138.91
Dipole, Da:	2.28
IP(EA), eV:	-11.47(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-chlorosulfonyl-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl)C(=O)O

DOS

IR

Vibrations