Geometry & MOs

Info

ID:	68118
PubChem CID:	46507782
Reduced:	ClO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	-9.82
Dipole, Da:	7.41
IP(EA), eV:	-8.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(ethylamino)-3-methylsulfanyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)NN)Cl

DOS

IR

Vibrations