Geometry & MOs

Info

ID:	249345
PubChem CID:	103088786
Reduced:	FSCl2N2O3C11H11 (1)
Stoich.:	ABC2D2E3F11G11 (1)
Weight, g/mol:	266.18167
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	2.96
IP(EA), eV:	-9.66(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,4-dimethylphenyl)-2-N-methyl-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

C1CNC(=O)CN(C1)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations