Geometry & MOs

Info

ID:	154093
PubChem CID:	56313481
Reduced:	OF4N4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	447.162806
ΔH_f, kcal/mol:	-196.27
Dipole, Da:	2.96
IP(EA), eV:	-9.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(1-propylsulfonylpiperidin-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCC(C2=CC=C(C=C2)F)N(C)C)C(F)(F)F

DOS

IR

Vibrations