Geometry & MOs

Info

ID:	353104
PubChem CID:	127284284
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	345.208613
ΔH_f, kcal/mol:	-186.28
Dipole, Da:	4.36
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-piperidin-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NCCN3CCS(=O)(=O)CC3

DOS

IR

Vibrations