Geometry & MOs

Info

ID:	238581
PubChem CID:	92741986
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	354.174356
ΔH_f, kcal/mol:	-183.31
Dipole, Da:	5.85
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-fluoro-2-methylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCOCC5

DOS

IR

Vibrations