Geometry & MOs

Info

ID:

432479

PubChem CID:

135172612

Reduced:

F3O8C43H47 (1)

Stoich.:

A3B8C43D47 (1)

Weight, g/mol:

657.12648

ΔHf, kcal/mol:

-397.94

Dipole, Da:

2.94

IP(EA), eV:

 -8.66(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R,10S)-7-butyl-10-N-[(4-fluorophenyl)methyl]-6-N-iodophosphanyloxy-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C4CCC(CC4)CCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations