Geometry & MOs

Info

ID:	237943
PubChem CID:	92722925
Reduced:	FN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-131.43
Dipole, Da:	2.24
IP(EA), eV:	-9.53(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations