Geometry & MOs

Info

ID:	36004
PubChem CID:	7980629
Reduced:	SN2O3H16C21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	4.42
IP(EA), eV:	-8.61(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dimethoxyphenyl)-N-[4-(4-methylphenoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations