Geometry & MOs

Info

ID:

340082

PubChem CID:

127262091

Reduced:

O3N10C17H22 (1)

Stoich.:

A3B10C17D22 (1)

Weight, g/mol:

530.275387

ΔHf, kcal/mol:

-31.99

Dipole, Da:

6.7

IP(EA), eV:

 -8.8(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-N-naphthalen-2-ylpentanamide

Drug info:

PubChemData

Smile

C1=CN=C(N1)C(C2=NC=CN2)N([C@@H](CC3=CN=CN3)C(=O)N)C(=O)CNC(=O)CN

DOS

IR

Vibrations