Geometry & MOs

Info

ID:

215345

PubChem CID:

85084575

Reduced:

ClPN3O11H35C42 (1)

Stoich.:

ABC3D11E35F42 (1)

Weight, g/mol:

824.177599

ΔHf, kcal/mol:

-287.38

Dipole, Da:

11.61

IP(EA), eV:

 -9.47(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-chloro-2-[hydroxy-[(4-nitrophenyl)methoxy]methylidene]-8-oxo-7-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-1-azabicyclo[4.2.0]octan-3-yl]oxy-triphenoxyphosphanium

Drug info:

PubChemData

Smile

C1CC(C(=C([O-])OCC2=CC=C(C=C2)[N+](=O)[O-])N3C1C(C3=O)N4C(COC4=O)C5=CC=CC=C5)(O[P+](OC6=CC=CC=C6)(OC7=CC=CC=C7)OC8=CC=CC=C8)Cl

DOS

IR

Vibrations