Geometry & MOs

Info

ID:

52676

PubChem CID:

12015667

Reduced:

NiF3N4O6H23C29 (1)

Stoich.:

AB3C4D6E23F29 (1)

Weight, g/mol:

582.172619

ΔHf, kcal/mol:

-257.64

Dipole, Da:

7.38

IP(EA), eV:

 -8.96(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations