Geometry & MOs

Info

ID:	153546
PubChem CID:	56312794
Reduced:	BrFO2N5H15C22 (1)
Stoich.:	ABC2D5E15F22 (1)
Weight, g/mol:	476.0484
ΔH_f, kcal/mol:	5.07
Dipole, Da:	6.78
IP(EA), eV:	-9.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CN=CN2C3=CC=C(C=C3)F)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations