Geometry & MOs

Info

ID:

1146

PubChem CID:

3854

Reduced:

FN3O5C43H48 (1)

Stoich.:

AB3C5D43E48 (1)

Weight, g/mol:

705.3578

ΔHf, kcal/mol:

-209.9

Dipole, Da:

4.09

IP(EA), eV:

 -9.13(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1-anilino-4-methyl-1-oxopentan-2-yl)carbamoyl]-6-[4-(4-fluorophenyl)phenyl]-2-[4-(3-oxo-1H-isoindol-2-yl)butyl]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCC2=CC=C(C=C2)C3=CC=C(C=C3)F)CC(CCCCN4CC5=CC=CC=C5C4=O)C(=O)O

DOS

IR

Vibrations