Geometry & MOs

Info

ID:	57869
PubChem CID:	24278075
Reduced:	ClSN3O4H16C22 (1)
Stoich.:	ABC3D4E16F22 (1)
Weight, g/mol:	473.000383
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	2.74
IP(EA), eV:	-9.76(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations