Geometry & MOs

Info

ID:	237935
PubChem CID:	92722909
Reduced:	FN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-107.33
Dipole, Da:	2.69
IP(EA), eV:	-9.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C[C@@H](C1=CC=C(C=C1)F)N2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations