Geometry & MOs

Info

ID:

214834

PubChem CID:

85083721

Reduced:

F2N3O3C37H47 (1)

Stoich.:

A2B3C3D37E47 (1)

Weight, g/mol:

619.37337

ΔHf, kcal/mol:

-190.87

Dipole, Da:

3.17

IP(EA), eV:

 -9.47(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[3-methyl-1-[2-[[5-(2-methylpropyl)-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]imidazolidin-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(COC3(CC3)C4=CC=CC(=C4)C(C)C)N)C

DOS

IR

Vibrations