Geometry & MOs

Info

ID:	27957
PubChem CID:	824333
Reduced:	BrOSN3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	30.82
Dipole, Da:	5.46
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CN1C(=S)OC(=N1)C2=CC=CC=C2Br

DOS

IR

Vibrations