Geometry & MOs

Info

ID:	57884
PubChem CID:	24278232
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	458.102431
ΔH_f, kcal/mol:	21.26
Dipole, Da:	8.09
IP(EA), eV:	-9.78(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)O)C3=CC=NC=C3)C

DOS

IR

Vibrations