Geometry & MOs

Info

ID:	301358
PubChem CID:	123080521
Reduced:	OSCl2N4C22H24 (1)
Stoich.:	ABC2D4E22F24 (1)
Weight, g/mol:	460.13359
ΔH_f, kcal/mol:	48.08
Dipole, Da:	9.02
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(2,4,5-trimethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations