Geometry & MOs

Info

ID:	137491
PubChem CID:	52214191
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-50.77
Dipole, Da:	4.65
IP(EA), eV:	-8.79(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1OC)N(C)C(=O)C2CC2

DOS

IR

Vibrations