Geometry & MOs

Info

ID:	301476
PubChem CID:	123081100
Reduced:	SO2Cl3N4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	478.099703
ΔH_f, kcal/mol:	32.86
Dipole, Da:	5.74
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N\N2C=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)Cl)OC

DOS

IR

Vibrations