Geometry & MOs

Info

ID:	86096
PubChem CID:	49881815
Reduced:	OS2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	399.143905
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	1.62
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[2-(4-ethylphenoxy)ethylsulfanyl]-5-(phenylsulfanylmethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CSC3=CC=C(C=C3)C

DOS

IR

Vibrations