Geometry & MOs

Info

ID:

432480

PubChem CID:

135172613

Reduced:

FIPN3O5C27H34 (1)

Stoich.:

ABCD3E5F27G34 (1)

Weight, g/mol:

750.394325

ΔHf, kcal/mol:

-230.07

Dipole, Da:

6.4

IP(EA), eV:

 -9.2(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC3=CC=C(C=C3)F)C=C2)C(=O)NOPI

DOS

IR

Vibrations