Geometry & MOs

Info

ID:

432483

PubChem CID:

135172616

Reduced:

O4C19H22 (2)

Stoich.:

A4B19C22 (2)

Weight, g/mol:

451.248249

ΔHf, kcal/mol:

-260.04

Dipole, Da:

3.09

IP(EA), eV:

 -8.74(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R,10S)-10-N-(6-fluorohexyl)-6-N-hydroxy-7-methyl-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC(=CC(=C3)OCOC(=O)C(C)(C)CO)OCOC(=O)C(=C)CO

DOS

IR

Vibrations