Geometry & MOs

Info

ID:

44524

PubChem CID:

10503896

Reduced:

O7C26H30 (1)

Stoich.:

A7B26C30 (1)

Weight, g/mol:

454.210387

ΔHf, kcal/mol:

-178.54

Dipole, Da:

6.25

IP(EA), eV:

 -9.41(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-1-phenylpropylideneamino] (2S)-3-(4-acetyloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C(C4=C(C(=O)[C@]3([C@@]15[C@H](O5)C[C@H]2C6=CC(=O)OC6O)C)O)(C)C)C

DOS

IR

Vibrations