Geometry & MOs

Info

ID:

47158

PubChem CID:

10530028

Reduced:

N2F3O3H29C30 (1)

Stoich.:

A2B3C3D29E30 (1)

Weight, g/mol:

523.23185

ΔHf, kcal/mol:

-151.22

Dipole, Da:

4.46

IP(EA), eV:

 -9.18(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCC/C(=C\CNO)/C1=CC(=CC=C1)OCC2=C(OC(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations