Geometry & MOs

Info

ID:	153357
PubChem CID:	56312543
Reduced:	BrO2N3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	479.04807
ΔH_f, kcal/mol:	5.19
Dipole, Da:	3.96
IP(EA), eV:	-9.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations