Geometry & MOs

Info

ID:	158901
PubChem CID:	57244165
Reduced:	ClN3O3F6H22C26 (1)
Stoich.:	AB3C3D6E22F26 (1)
Weight, g/mol:	450.142701
ΔH_f, kcal/mol:	-376.39
Dipole, Da:	2.06
IP(EA), eV:	-9.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-dioxoisoindol-2-yl)-1-(1,3-dioxoisoindol-2-yl)oxyethyl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C(=C2)COC3=CC=CC=C3Cl)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations