Geometry & MOs

Info

ID:

52678

PubChem CID:

12015669

Reduced:

NiN4O7H26C29 (1)

Stoich.:

AB4C7D26E29 (1)

Weight, g/mol:

544.195799

ΔHf, kcal/mol:

40.78

Dipole, Da:

25.82

IP(EA), eV:

 -7.49(-3.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-(4-methoxyphenyl)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-2-[1-[2-(pyridine-2-carbonylamino)phenyl]ethylideneamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(=N[C@@H]([C@H](CC(=O)N1CCOC1=O)C2=CC=C(C=C2)OC)C(=O)[O-])C3=CC=CC=C3[N-]C(=O)C4=CC=CC=N4.[Ni+2]

DOS

IR

Vibrations