Geometry & MOs

Info

ID:	182346
PubChem CID:	76877850
Reduced:	F2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-77.61
Dipole, Da:	3.0
IP(EA), eV:	-8.99(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3-methoxy-4-methylsulfanylphenyl)-N-(2-phenylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCON=C(C2=CN=C(C=C2)OC3=CC=C(C=C3)F)N)F

DOS

IR

Vibrations