Geometry & MOs

Info

ID:

432697

PubChem CID:

135172833

Reduced:

F5O9H33C34 (1)

Stoich.:

A5B9C33D34 (1)

Weight, g/mol:

710.345483

ΔHf, kcal/mol:

-575.14

Dipole, Da:

2.17

IP(EA), eV:

 -9.47(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[4-(4-butoxyphenyl)phenyl]-3-ethylphenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)OC(C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC(F)(F)F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations