Geometry & MOs

Info

ID:

12909

PubChem CID:

148244

Reduced:

N3O11C41H47 (1)

Stoich.:

A3B11C41D47 (1)

Weight, g/mol:

757.321059

ΔHf, kcal/mol:

-360.22

Dipole, Da:

13.55

IP(EA), eV:

 -8.87(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C=C)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)OCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations