Geometry & MOs

Info

ID:	157346
PubChem CID:	56423042
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	384.184921
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	5.82
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-piperidin-1-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C(=O)N)SC1=NN=C(N1CC2CCCO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations