Geometry & MOs

Info

ID:

15578

PubChem CID:

444817

Reduced:

N6O6C25H46 (1)

Stoich.:

A6B6C25D46 (1)

Weight, g/mol:

526.347883

ΔHf, kcal/mol:

-327.47

Dipole, Da:

5.56

IP(EA), eV:

 -9.67(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)N

DOS

IR

Vibrations