Geometry & MOs

Info

ID:	57885
PubChem CID:	24278244
Reduced:	SO2F3N4H17C22 (1)
Stoich.:	AB2C3D4E17F22 (1)
Weight, g/mol:	478.047809
ΔH_f, kcal/mol:	-115.55
Dipole, Da:	9.64
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyltriazol-1-yl]aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations