Geometry & MOs

Info

ID:	155932
PubChem CID:	56368355
Reduced:	OSN6H22C25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	406.84948
ΔH_f, kcal/mol:	125.29
Dipole, Da:	6.27
IP(EA), eV:	-8.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NC(=O)C3=CSC(=N3)C4=CN(N=C4)C)CC5=CC=CC=C5

DOS

IR

Vibrations