Geometry & MOs

Info

ID:	275478
PubChem CID:	103816391
Reduced:	BrOSCl2N2H5C12 (1)
Stoich.:	ABCD2E2F5G12 (1)
Weight, g/mol:	389.8996
ΔH_f, kcal/mol:	46.03
Dipole, Da:	2.16
IP(EA), eV:	-9.46(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-2-chloro-5-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C#N)NC(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations