Geometry & MOs

Info

ID:	301654
PubChem CID:	123090168
Reduced:	OSCl2N4C20H20 (1)
Stoich.:	ABC2D4E20F20 (1)
Weight, g/mol:	554.131003
ΔH_f, kcal/mol:	62.26
Dipole, Da:	8.71
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(3-ethoxy-4-phenylmethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC)SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations