Geometry & MOs

Info

ID:	195285
PubChem CID:	78668607
Reduced:	SN2O6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-206.51
Dipole, Da:	5.17
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2CCCC2)OC

DOS

IR

Vibrations