Geometry & MOs

Info

ID:	9480
PubChem CID:	89893
Reduced:	ClSN2H5O6C7 (1)
Stoich.:	ABC2D5E6F7 (1)
Weight, g/mol:	279.955685
ΔH_f, kcal/mol:	-134.08
Dipole, Da:	3.55
IP(EA), eV:	-11.14(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-nitro-5-sulfamoylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations