Geometry & MOs

Info

ID:	348789
PubChem CID:	127274437
Reduced:	SN3O3C19H33 (1)
Stoich.:	AB3C3D19E33 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	4.85
IP(EA), eV:	-8.94(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylpiperidin-1-yl)-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)CN3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations