Geometry & MOs

Info

ID:	301623
PubChem CID:	123088800
Reduced:	OSN5H19C24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	469.133924
ΔH_f, kcal/mol:	156.24
Dipole, Da:	8.07
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2/C=N\N3C=NN=C3SCC4=CC=C(C=C4)C#N

DOS

IR

Vibrations