Geometry & MOs

Info

ID:	153645
PubChem CID:	56312926
Reduced:	BrFN3O3H15C20 (1)
Stoich.:	ABC3D3E15F20 (1)
Weight, g/mol:	421.04259
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	5.92
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)F

DOS

IR

Vibrations