Geometry & MOs

Info

ID:	267558
PubChem CID:	103582713
Reduced:	BrNSCl2C8H8 (1)
Stoich.:	ABCD2E8F8 (1)
Weight, g/mol:	344.89927
ΔH_f, kcal/mol:	8.59
Dipole, Da:	1.32
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-2-(3-chloro-2-methylpropyl)sulfonylpyridine

Drug info:

PubChemData

Smile

CC(CCl)SC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations