Geometry & MOs

Info

ID:	301356
PubChem CID:	123080515
Reduced:	OSCl2N4H24C26 (1)
Stoich.:	ABC2D4E24F26 (1)
Weight, g/mol:	448.089138
ΔH_f, kcal/mol:	90.64
Dipole, Da:	4.89
IP(EA), eV:	-8.72(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations