Geometry & MOs

Info

ID:	78331
PubChem CID:	49688261
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	352.182064
ΔH_f, kcal/mol:	-94.28
Dipole, Da:	7.77
IP(EA), eV:	-9.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)CNC(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations