Geometry & MOs

Info

ID:	153854
PubChem CID:	56313183
Reduced:	BrO4N5H20C21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	473.01418
ΔH_f, kcal/mol:	-81.23
Dipole, Da:	6.09
IP(EA), eV:	-9.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[2-(3-chlorophenoxy)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)C4CC4

DOS

IR

Vibrations