Geometry & MOs

Info

ID:	154165
PubChem CID:	56313567
Reduced:	BrO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	495.00977
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	4.05
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations