Geometry & MOs

Info

ID:

45202

PubChem CID:

10509278

Reduced:

O9H42C47 (1)

Stoich.:

A9B42C47 (1)

Weight, g/mol:

753.406126

ΔHf, kcal/mol:

-182.49

Dipole, Da:

7.84

IP(EA), eV:

 -8.69(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(5S)-6-[[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]amino]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(C=C1)O)OC(=O)C2=CC(=C(C(=C2)OCC3=CC=CC=C3)C(=O)C4=C(C=CC=C4OCC5=CC=CC=C5)C(=O)OC)OCC6=CC=CC=C6

DOS

IR

Vibrations