Geometry & MOs

Info

ID:	153623
PubChem CID:	56312892
Reduced:	FOCl2N2H15C16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	434.203942
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	4.64
IP(EA), eV:	-9.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(N=C1)Cl)Cl)C2=CC=CC=C2F

DOS

IR

Vibrations