Geometry & MOs

Info

ID:

169371

PubChem CID:

75093670

Reduced:

F3N4O4C27H29 (1)

Stoich.:

A3B4C4D27E29 (1)

Weight, g/mol:

1041.231367

ΔHf, kcal/mol:

-171.2

Dipole, Da:

6.52

IP(EA), eV:

 -8.52(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N-[[1-[[3-hydroxy-5-[5-methyl-2,4-dioxo-3-[[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methyl]-1,3-diazinan-1-yl]oxolan-2-yl]methyl]triazol-4-yl]methyl]undecanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(CC(CNC2=CC=C(C=C2)F)OC)C(COC3=CC(=CC(=C3)F)F)N=[N+]=[N-]

DOS

IR

Vibrations