Geometry & MOs

Info

ID:	153644
PubChem CID:	56312925
Reduced:	BrN4O6H15C21 (1)
Stoich.:	AB4C6D15E21 (1)
Weight, g/mol:	443.02808
ΔH_f, kcal/mol:	-72.31
Dipole, Da:	3.5
IP(EA), eV:	-9.44(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations