Geometry & MOs

Info

ID:	57866
PubChem CID:	24277975
Reduced:	ClFSO2N4H14C20 (1)
Stoich.:	ABCD2E4F14G20 (1)
Weight, g/mol:	562.8973
ΔH_f, kcal/mol:	-1.06
Dipole, Da:	7.57
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-bromophenyl)-4-(4-bromophenyl)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=CC=C(C=C4)F)Cl

DOS

IR

Vibrations