Geometry & MOs

Info

ID:

340057

PubChem CID:

127262066

Reduced:

O5N9C20H33 (1)

Stoich.:

A5B9C20D33 (1)

Weight, g/mol:

553.264882

ΔHf, kcal/mol:

-110.67

Dipole, Da:

9.11

IP(EA), eV:

 -9.12(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N([C@@H](CCCN=C(N)N)C(=O)N)C(=O)CNC(=O)[C@@H](CCCCN)N)[N+](=O)[O-]

DOS

IR

Vibrations