Geometry & MOs

Info

ID:	154643
PubChem CID:	56314128
Reduced:	FSO2N3C24H24 (1)
Stoich.:	ABC2D3E24F24 (1)
Weight, g/mol:	445.18017
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	3.66
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=CS2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations