Geometry & MOs

Info

ID:	280549
PubChem CID:	103849855
Reduced:	BrClOSN3H5C9 (1)
Stoich.:	ABCDE3F5G9 (1)
Weight, g/mol:	378.86816
ΔH_f, kcal/mol:	37.07
Dipole, Da:	6.93
IP(EA), eV:	-9.26(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-2,6-dichloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Br)Cl)NC(=O)C2=CSC=N2

DOS

IR

Vibrations