Geometry & MOs

Info

ID:	68119
PubChem CID:	46507783
Reduced:	OSN4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	88.03
Dipole, Da:	5.97
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(ethylamino)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCN/C(=C(/C#N)\C1=NC(=NO1)C2=CC=CC=C2)/SC

DOS

IR

Vibrations