Geometry & MOs

Info

ID:

144358

PubChem CID:

53354407

Reduced:

ClN2O4H17C20 (1)

Stoich.:

AB2C4D17E20 (1)

Weight, g/mol:

646.29782

ΔHf, kcal/mol:

-119.34

Dipole, Da:

5.48

IP(EA), eV:

 -9.23(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-4-[[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]amino]-1-[(2S)-3-cyclopropyl-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=CC=C4Cl

DOS

IR

Vibrations