Geometry & MOs

Info

ID:	249204
PubChem CID:	103087690
Reduced:	FNSCl2O4H8C10 (1)
Stoich.:	ABCD2E4F8G10 (1)
Weight, g/mol:	272.111398
ΔH_f, kcal/mol:	-178.15
Dipole, Da:	4.51
IP(EA), eV:	-10.56(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-N,2-N-dimethyl-1-N-(4-methylsulfanylbutyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)C(=O)O

DOS

IR

Vibrations