Geometry & MOs

Info

ID:	64822
PubChem CID:	29204047
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	406.246772
ΔH_f, kcal/mol:	-136.26
Dipole, Da:	2.62
IP(EA), eV:	-9.43(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations