Geometry & MOs

Info

ID:	154161
PubChem CID:	56313562
Reduced:	BrO3N5H18C23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	451.05315
ΔH_f, kcal/mol:	5.06
Dipole, Da:	3.23
IP(EA), eV:	-9.22(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C=NN2CCC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations