Geometry & MOs

Info

ID:

52673

PubChem CID:

12015662

Reduced:

N4O6C25H28 (1)

Stoich.:

A4B6C25D28 (1)

Weight, g/mol:

620.120576

ΔHf, kcal/mol:

-206.12

Dipole, Da:

4.96

IP(EA), eV:

 -9.29(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-naphthalen-2-yl-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(C)[C@@H](CC(=O)N1CCOC1=O)[C@@H](C(=O)O)N=C(C)C2=CC=CC=C2NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations