Geometry & MOs

Info

ID:	165278
PubChem CID:	74525697
Reduced:	N2O6C29H40 (1)
Stoich.:	A2B6C29D40 (1)
Weight, g/mol:	329.108565
ΔH_f, kcal/mol:	-221.7
Dipole, Da:	3.31
IP(EA), eV:	-8.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5CCC(CC5C3=O)C)OCC

DOS

IR

Vibrations