Geometry & MOs

Info

ID:

128119

PubChem CID:

51031870

Reduced:

NiN3O6C33H37 (1)

Stoich.:

AB3C6D33E37 (1)

Weight, g/mol:

573.283886

ΔHf, kcal/mol:

-91.68

Dipole, Da:

3.44

IP(EA), eV:

 -8.38(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-3-(2,4-dimethoxyphenyl)-5-hydroxy-2-[[phenyl-[2-[(2-piperidin-1-ylacetyl)amino]phenyl]methylidene]amino]pentanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H](CCO)[C@H](C(=O)[O-])N=C(C2=CC=CC=C2)C3=CC=CC=C3N=C(CN4CCCCC4)[O-])OC.[Ni+2]

DOS

IR

Vibrations