Geometry & MOs

Info

ID:	249278
PubChem CID:	103088284
Reduced:	BrFNCl2O2S2H9C12 (1)
Stoich.:	ABCD2E2F2G9H12 (1)
Weight, g/mol:	230.064447
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	3.46
IP(EA), eV:	-9.26(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(4-methylsulfanylbutyl)pyridin-3-amine

Drug info:

PubChemData

Smile

CN(CC1=CSC(=C1)Br)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations