Geometry & MOs

Info

ID:

52675

PubChem CID:

12015664

Reduced:

N2O3H14C16 (2)

Stoich.:

A2B3C14D16 (2)

Weight, g/mol:

638.092311

ΔHf, kcal/mol:

-143.19

Dipole, Da:

7.7

IP(EA), eV:

 -9.16(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

nickel(2+);(2S,3R)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-2-[1-[2-(pyridine-2-carbonylazanidyl)phenyl]ethylideneamino]-3-[4-(trifluoromethyl)phenyl]pentanoate

Drug info:

PubChemData

Smile

CC(=N[C@@H]([C@H](CC(=O)N1CCOC1=O)C2=CC3=CC=CC=C3C=C2)C(=O)O)C4=CC=CC=C4NC(=O)C5=CC=CC=N5

DOS

IR

Vibrations