Geometry & MOs

Info

ID:	154699
PubChem CID:	56314204
Reduced:	BrO2N5H20C24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	477.04365
ΔH_f, kcal/mol:	44.35
Dipole, Da:	5.32
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations