Geometry & MOs

Info

ID:	301364
PubChem CID:	123080540
Reduced:	SO2Cl3N4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	442.15941
ΔH_f, kcal/mol:	19.01
Dipole, Da:	5.42
IP(EA), eV:	-9.18(-1.93)
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-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1N/C=C/2\C=C(C(=C(C2=O)Cl)O)Cl)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations