Geometry & MOs

Info

ID:

340134

PubChem CID:

127262143

Reduced:

N3O3C13H16 (2)

Stoich.:

A3B3C13D16 (2)

Weight, g/mol:

637.322397

ΔHf, kcal/mol:

-137.36

Dipole, Da:

4.73

IP(EA), eV:

 -9.74(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(2S)-1-(N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-nitroanilino)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CC3=CC=CC=C3)C(=O)N)N

DOS

IR

Vibrations