Geometry & MOs

Info

ID:	139716
PubChem CID:	52584134
Reduced:	SN3O3C23H38 (1)
Stoich.:	AB3C3D23E38 (1)
Weight, g/mol:	435.255563
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	6.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755736
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(benzenesulfonyl)-N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)[C@H](CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations