Geometry & MOs

Info

ID:

432894

PubChem CID:

135173031

Reduced:

OH25C36 (2)

Stoich.:

AB25C36 (2)

Weight, g/mol:

542.201279

ΔHf, kcal/mol:

200.49

Dipole, Da:

1.56

IP(EA), eV:

 -8.68(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-4-oxo-2-[[(2S)-4-oxo-4-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)O)C6=CC=CC=C6C7=CC=CC=C7C8=C(C(=C(C(=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)O

DOS

IR

Vibrations