Geometry & MOs

Info

ID:

340148

PubChem CID:

127262157

Reduced:

O5N6C34H38 (1)

Stoich.:

A5B6C34D38 (1)

Weight, g/mol:

545.263819

ΔHf, kcal/mol:

-134.67

Dipole, Da:

4.52

IP(EA), eV:

 -8.66(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[[(2-phenylacetyl)amino]methyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CNC[C@H]1C(=O)N([C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)C(=O)[C@H](CC5=CC=C(C=C5)O)N

DOS

IR

Vibrations