Geometry & MOs

Info

ID:	153551
PubChem CID:	56312799
Reduced:	BrN4O4H21C22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	455.04807
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	5.33
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations