Geometry & MOs

Info

ID:	57887
PubChem CID:	24278280
Reduced:	SO2Cl3N4H13C20 (1)
Stoich.:	AB2C3D4E13F20 (1)
Weight, g/mol:	506.96141
ΔH_f, kcal/mol:	36.82
Dipole, Da:	9.03
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)sulfonyltriazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N=NN2C3=CC=C(C=C3)N)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl)Cl

DOS

IR

Vibrations