Geometry & MOs

Info

ID:	249252
PubChem CID:	103088077
Reduced:	FSCl2N2O2H9C11 (1)
Stoich.:	ABC2D2E2F9G11 (1)
Weight, g/mol:	229.186421
ΔH_f, kcal/mol:	-60.9
Dipole, Da:	6.25
IP(EA), eV:	-10.47(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-methyl-N-(4-methylsulfanylbutyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

C1CC1C(C#N)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations