Geometry & MOs

Info

ID:	237934
PubChem CID:	92722888
Reduced:	FO2N3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	368.190006
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	2.17
IP(EA), eV:	-9.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N1[C@H](CC(=O)NCC3=CN=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations