Geometry & MOs

Info

ID:	301481
PubChem CID:	123081321
Reduced:	SO2Cl3N4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	424.008301
ΔH_f, kcal/mol:	35.57
Dipole, Da:	5.0
IP(EA), eV:	-9.07(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C/C(=C\NN2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C)/C=C(C1=O)Cl

DOS

IR

Vibrations