Geometry & MOs

Info

ID:

317223

PubChem CID:

126634436

Reduced:

NO5H19C20 (1)

Stoich.:

AB5C19D20 (1)

Weight, g/mol:

898.140018

ΔHf, kcal/mol:

-158.17

Dipole, Da:

5.01

IP(EA), eV:

 -9.24(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC2=C(C=C1)N(C(=O)C2(CC=O)O)CC3=CC=CC=C3

DOS

IR

Vibrations