Geometry & MOs

Info

ID:	301478
PubChem CID:	123081241
Reduced:	OSCl2N4C20H20 (1)
Stoich.:	ABC2D4E20F20 (1)
Weight, g/mol:	434.073488
ΔH_f, kcal/mol:	61.91
Dipole, Da:	9.23
IP(EA), eV:	-8.78(-1.04)
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-(4-propan-2-yloxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations