Geometry & MOs

Info

ID:

52679

PubChem CID:

12015670

Reduced:

N4O7H28C29 (1)

Stoich.:

A4B7C28D29 (1)

Weight, g/mol:

604.138125

ΔHf, kcal/mol:

-205.72

Dipole, Da:

3.35

IP(EA), eV:

 -8.82(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-3-(2,3,4,5,6-pentafluorophenyl)-2-[1-[2-(pyridine-2-carbonylamino)phenyl]ethylideneamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(=N[C@@H]([C@H](CC(=O)N1CCOC1=O)C2=CC=C(C=C2)OC)C(=O)O)C3=CC=CC=C3NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations