Geometry & MOs

Info

ID:	278043
PubChem CID:	103832947
Reduced:	SN3O3C10H23 (1)
Stoich.:	AB3C3D10E23 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-159.87
Dipole, Da:	5.83
IP(EA), eV:	-9.74(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NCCCNS(=O)(=O)C)N

DOS

IR

Vibrations