Geometry & MOs

Info

ID:	153956
PubChem CID:	56313311
Reduced:	BrN4O4H17C22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	477.04365
ΔH_f, kcal/mol:	-63.34
Dipole, Da:	5.11
IP(EA), eV:	-9.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations