Geometry & MOs

Info

ID:

218610

PubChem CID:

85089683

Reduced:

O2H5C7 (4)

Stoich.:

A2B5C7 (4)

Weight, g/mol:

484.187937

ΔHf, kcal/mol:

-228.1

Dipole, Da:

6.85

IP(EA), eV:

 -8.49(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C=CC3=CC(=CC(=C3)O)O)OC4C(O2)C5=C(C6=CC(=C(C=C46)O)O)C(=CC(=C5)O)O

DOS

IR

Vibrations