Geometry & MOs

Info

ID:	154501
PubChem CID:	56313954
Reduced:	BrO3N5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	463.05315
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	3.81
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations