Geometry & MOs

Info

ID:

52668

PubChem CID:

12015655

Reduced:

N4O5H28C29 (1)

Stoich.:

A4B5C28D29 (1)

Weight, g/mol:

508.089276

ΔHf, kcal/mol:

-129.32

Dipole, Da:

3.31

IP(EA), eV:

 -9.17(-1.22)

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

Drug info:

PubChemData

Smile

CC(=N[C@@H]([C@H](CC(=O)N1CCCC1=O)C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations