Geometry & MOs

Info

ID:	57886
PubChem CID:	24278246
Reduced:	ClSO2F3N4H14C21 (1)
Stoich.:	ABC2D3E4F14G21 (1)
Weight, g/mol:	477.98248
ΔH_f, kcal/mol:	-112.66
Dipole, Da:	10.53
IP(EA), eV:	-9.1(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chlorophenyl)-4-(2,5-dichlorophenyl)sulfonyltriazol-1-yl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations