Geometry & MOs

Info

ID:

180820

PubChem CID:

76690521

Reduced:

Li2F3N6H17C21 (1)

Stoich.:

A2B3C6D17E21 (1)

Weight, g/mol:

689.378849

ΔHf, kcal/mol:

-30.79

Dipole, Da:

7.59

IP(EA), eV:

 -8.64(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[1-[2-[[5-(methylamino)-4-oxo-6-phenyl-2-propan-2-ylhexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

[Li+].[Li+].CC1=NN([C-]=C1)C2=CC=CC(=N2)C(C)(C)C3=NC(=CC=C3)N4[C-]=CC(=N4)C(F)(F)F

DOS

IR

Vibrations