Geometry & MOs

Info

ID:

223805

PubChem CID:

85335597

Reduced:

N3O3F6C28H31 (1)

Stoich.:

A3B3C6D28E31 (1)

Weight, g/mol:

572.280592

ΔHf, kcal/mol:

-418.66

Dipole, Da:

3.5

IP(EA), eV:

 -9.31(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[1-[2-(2-aminopropanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC(CN2)(C(=O)NC)N3CCCC3=O)C4=CC=CC=C4

DOS

IR

Vibrations