Geometry & MOs

Info

ID:	249387
PubChem CID:	103089126
Reduced:	FSCl2O2N3C12H16 (1)
Stoich.:	ABC2D2E3F12G16 (1)
Weight, g/mol:	184.10342
ΔH_f, kcal/mol:	-107.91
Dipole, Da:	3.89
IP(EA), eV:	-8.79(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-5-methylsulfanylpentanenitrile

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations