Geometry & MOs

Info

ID:	237936
PubChem CID:	92722910
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	2.69
IP(EA), eV:	-9.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC(=O)C[C@H](C2=CC=C(C=C2)F)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations