Geometry & MOs

Info

ID:	368621
PubChem CID:	127329687
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	2.38
IP(EA), eV:	-8.81(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperidin-1-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)NC2CCN(CC2)C

DOS

IR

Vibrations