Geometry & MOs

Info

ID:	57890
PubChem CID:	24278303
Reduced:	Cl2N3O4H11C17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	462.01203
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	6.1
IP(EA), eV:	-9.11(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,4-dichlorophenyl)sulfonyl-5-(4-fluorophenyl)triazol-1-yl]aniline

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C3=C(N=NN3C4=C(C=CC(=C4)Cl)Cl)C(=O)O

DOS

IR

Vibrations