Geometry & MOs

Info

ID:	153550
PubChem CID:	56312798
Reduced:	BrO2N7H16C20 (1)
Stoich.:	AB2C7D16E20 (1)
Weight, g/mol:	484.07462
ΔH_f, kcal/mol:	64.95
Dipole, Da:	8.28
IP(EA), eV:	-9.22(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br)C

DOS

IR

Vibrations