Geometry & MOs

Info

ID:

432487

PubChem CID:

135172620

Reduced:

F3O8C37H37 (1)

Stoich.:

A3B8C37D37 (1)

Weight, g/mol:

557.290114

ΔHf, kcal/mol:

-376.66

Dipole, Da:

4.35

IP(EA), eV:

 -8.98(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R,10S)-7-butyl-10-N-[[4-(3-fluoropropoxy)phenyl]methyl]-6-N-hydroxy-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)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations