Geometry & MOs

Info

ID:	301479
PubChem CID:	123081248
Reduced:	OSCl2N4C20H20 (1)
Stoich.:	ABC2D4E20F20 (1)
Weight, g/mol:	465.042916
ΔH_f, kcal/mol:	57.55
Dipole, Da:	9.29
IP(EA), eV:	-8.69(-0.84)
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-ethoxy-3-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC(C)C)SCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations