Geometry & MOs

Info

ID:

52677

PubChem CID:

12015668

Reduced:

F3N4O6H25C29 (1)

Stoich.:

A3B4C6D25E29 (1)

Weight, g/mol:

600.115491

ΔHf, kcal/mol:

-323.37

Dipole, Da:

4.57

IP(EA), eV:

 -9.16(-1.12)

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-carbonylazanidyl)phenyl]ethylideneamino]pentanoate;nickel(2+)

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=C3NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations