Geometry & MOs

Info

ID:

432691

PubChem CID:

135172827

Reduced:

O2F3N4C27H27 (1)

Stoich.:

A2B3C4D27E27 (1)

Weight, g/mol:

708.366219

ΔHf, kcal/mol:

-155.36

Dipole, Da:

3.19

IP(EA), eV:

 -8.84(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-(4-hydroxy-2-methylidenebutanoyl)oxyethoxy]-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]phenoxy]ethyl 4-hydroxy-2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations