Geometry & MOs

Info

ID:	153471
PubChem CID:	56312688
Reduced:	ClFN3O3H19C23 (1)
Stoich.:	ABC3D3E19F23 (1)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	4.72
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations