Geometry & MOs

Info

ID:	267556
PubChem CID:	103582707
Reduced:	BrClNOSH9C12 (1)
Stoich.:	ABCDEF9G12 (1)
Weight, g/mol:	312.90944
ΔH_f, kcal/mol:	11.59
Dipole, Da:	1.63
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CO)SC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations