Geometry & MOs

Info

ID:	129762
PubChem CID:	51073759
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	326.130028
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	4.21
IP(EA), eV:	-9.39(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCC1C(=O)N(C)CC2=CC=CC=C2

DOS

IR

Vibrations