Geometry & MOs

Info

ID:

52667

PubChem CID:

12015652

Reduced:

NiN4O5C24H24 (1)

Stoich.:

AB4C5D24E24 (1)

Weight, g/mol:

512.20597

ΔHf, kcal/mol:

17.95

Dipole, Da:

4.07

IP(EA), eV:

 -7.56(-3.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-5-oxo-5-(2-oxopyrrolidin-1-yl)-3-phenyl-2-[1-[2-(pyridine-2-carbonylamino)phenyl]ethylideneamino]pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)N1CCCC1=O)[C@@H](C(=O)[O-])N=C(C)C2=CC=CC=C2[N-]C(=O)C3=CC=CC=N3.[Ni+2]

DOS

IR

Vibrations