Geometry & MOs

Info

ID:	57865
PubChem CID:	24277968
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	428.051003
ΔH_f, kcal/mol:	-104.35
Dipole, Da:	9.76
IP(EA), eV:	-9.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyltriazol-1-yl]aniline

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2=CC=C(C=C2)OCC)C(=O)NCC(=O)O

DOS

IR

Vibrations