Geometry & MOs

Info

ID:

432019

PubChem CID:

135172151

Reduced:

F3O3N6H37C38 (1)

Stoich.:

A3B3C6D37E38 (1)

Weight, g/mol:

468.345089

ΔHf, kcal/mol:

-116.72

Dipole, Da:

8.07

IP(EA), eV:

 -8.5(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-(4-ethyl-4-methyl-2-prop-2-enoyloxyhexyl) 5-O-(3-methylpentan-3-yl) 2,2,4,4-tetramethylpentanedioate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

DOS

IR

Vibrations