Geometry & MOs

Info

ID:	237939
PubChem CID:	92722915
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	402.174356
ΔH_f, kcal/mol:	-124.91
Dipole, Da:	3.02
IP(EA), eV:	-9.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations