Geometry & MOs

Info

ID:	267561
PubChem CID:	103582717
Reduced:	BrNSCl2O2C8H8 (1)
Stoich.:	ABCD2E2F8G8 (1)
Weight, g/mol:	330.88362
ΔH_f, kcal/mol:	-63.89
Dipole, Da:	6.34
IP(EA), eV:	-10.42(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-2-(1-chloropropan-2-ylsulfonyl)pyridine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)S(=O)(=O)CCCCl)Br

DOS

IR

Vibrations