Geometry & MOs

Info

ID:	267560
PubChem CID:	103582716
Reduced:	BrNSCl2O2C9H10 (1)
Stoich.:	ABCD2E2F9G10 (1)
Weight, g/mol:	330.88362
ΔH_f, kcal/mol:	-70.71
Dipole, Da:	4.42
IP(EA), eV:	-10.34(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-2-(3-chloropropylsulfonyl)pyridine

Drug info:

PubChemData

Smile

CC(CCCl)S(=O)(=O)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations