Geometry & MOs

Info

ID:	157135
PubChem CID:	56422175
Reduced:	FSN2O2C21H25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-97.25
Dipole, Da:	6.78
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2-methoxyphenoxy)-N-(5-fluoro-2-piperidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)F)N2CCCCC2)SC3=CC=C(C=C3)OC

DOS

IR

Vibrations