Geometry & MOs

Info

ID:

52669

PubChem CID:

12015656

Reduced:

NiN4O6H22C23 (1)

Stoich.:

AB4C6D22E23 (1)

Weight, g/mol:

452.169585

ΔHf, kcal/mol:

-98.38

Dipole, Da:

11.03

IP(EA), eV:

 -7.4(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)N1CCOC1=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