Geometry & MOs

Info

ID:

340106

PubChem CID:

127262115

Reduced:

O5N6C26H34 (1)

Stoich.:

A5B6C26D34 (1)

Weight, g/mol:

491.274384

ΔHf, kcal/mol:

-99.42

Dipole, Da:

7.24

IP(EA), eV:

 -9.26(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]-[(2S)-4-methyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)N(C3=CC=C(C=C3)[N+](=O)[O-])[C@@H](CCCCN)C(=O)N

DOS

IR

Vibrations