Geometry & MOs

Info

ID:	301475
PubChem CID:	123081056
Reduced:	SCl2O2N4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	470.01378
ΔH_f, kcal/mol:	37.68
Dipole, Da:	4.88
IP(EA), eV:	-9.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC=C1OC)/C=N\N2C=NN=C2SCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations