Geometry & MOs

Info

ID:	301629
PubChem CID:	123089189
Reduced:	OSN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	381.081494
ΔH_f, kcal/mol:	99.79
Dipole, Da:	5.38
IP(EA), eV:	-8.97(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(Z)-(2-chlorophenyl)methylideneamino]-5-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)C#N)CC

DOS

IR

Vibrations