Geometry & MOs

Info

ID:	78332
PubChem CID:	49688267
Reduced:	SN2O3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	409.167142
ΔH_f, kcal/mol:	-141.81
Dipole, Da:	4.97
IP(EA), eV:	-9.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations