Geometry & MOs

Info

ID:

53570

PubChem CID:

14716687

Reduced:

O6F15H25C33 (1)

Stoich.:

A6B15C25D33 (1)

Weight, g/mol:

816.120426

ΔHf, kcal/mol:

-921.4

Dipole, Da:

8.51

IP(EA), eV:

 -9.23(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

heptan-2-yl 2,3,5,6-tetrafluoro-4-[4-[4-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]oxyphenyl]benzoyl]oxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C(=C(C(=C1F)F)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)F)F

DOS

IR

Vibrations