Geometry & MOs

Info

ID:	57897
PubChem CID:	24278343
Reduced:	Cl2O3N4H10C12 (1)
Stoich.:	A2B3C4D10E12 (1)
Weight, g/mol:	436.136925
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	7.83
IP(EA), eV:	-10.23(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-fluorophenyl)-4-(4-propan-2-ylphenyl)sulfonyltriazol-1-yl]aniline

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)NCC(=O)O

DOS

IR

Vibrations