Geometry & MOs

Info

ID:

215344

PubChem CID:

85084574

Reduced:

O6C53H90 (1)

Stoich.:

A6B53C90 (1)

Weight, g/mol:

823.169774

ΔHf, kcal/mol:

-361.04

Dipole, Da:

2.92

IP(EA), eV:

 -9.44(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-chloro-8-oxo-7-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-3-triphenoxyphosphaniumyloxy-1-azabicyclo[4.2.0]octan-2-ylidene]-[(4-nitrophenyl)methoxy]methanolate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCC=CCC=CCC=CCC=CCC

DOS

IR

Vibrations