Geometry & MOs

Info

ID:

314700

PubChem CID:

126622768

Reduced:

F2O3H6C10 (1)

Stoich.:

A2B3C6D10 (1)

Weight, g/mol:

1239.373064

ΔHf, kcal/mol:

-197.23

Dipole, Da:

7.37

IP(EA), eV:

 -10.2(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-[6-[bis(4-chlorophenyl)methyl]-4-(N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]anilino)quinolin-8-yl]peroxyperoxyperoxyperoxyperoxyicosan-1-ol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)O2)C(O)(F)F

DOS

IR

Vibrations