Geometry & MOs

Info

ID:	157244
PubChem CID:	56422443
Reduced:	FSO2N3C24H26 (1)
Stoich.:	ABC2D3E24F26 (1)
Weight, g/mol:	384.184921
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	8.48
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)NC3=C(C=CC(=C3)F)N4CCCCC4

DOS

IR

Vibrations