Geometry & MOs

Info

ID:	249207
PubChem CID:	103087710
Reduced:	FNSCl2O5H10C11 (1)
Stoich.:	ABCD2E5F10G11 (1)
Weight, g/mol:	259.171834
ΔH_f, kcal/mol:	-239.18
Dipole, Da:	7.96
IP(EA), eV:	-10.2(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1[C@@H](CN([C@@H]1C(=O)O)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)O

DOS

IR

Vibrations