Geometry & MOs

Info

ID:	267559
PubChem CID:	103582715
Reduced:	BrNSCl2O2C9H10 (1)
Stoich.:	ABCD2E2F9G10 (1)
Weight, g/mol:	344.89927
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	4.2
IP(EA), eV:	-10.31(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-2-(4-chlorobutan-2-ylsulfonyl)pyridine

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C1=C(C=C(C=N1)Br)Cl)CCl

DOS

IR

Vibrations