Geometry & MOs

Info

ID:	237942
PubChem CID:	92722923
Reduced:	N2O2F3H17C23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	370.169271
ΔH_f, kcal/mol:	-142.75
Dipole, Da:	4.05
IP(EA), eV:	-9.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N1[C@@H](CC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations