Geometry & MOs

Info

ID:

45061

PubChem CID:

10507663

Reduced:

O10C33H36 (1)

Stoich.:

A10B33C36 (1)

Weight, g/mol:

592.26136

ΔHf, kcal/mol:

-361.18

Dipole, Da:

7.49

IP(EA), eV:

 -9.22(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-cyclopentylphenoxy]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C/C(=C/C[C@@]12C(=O)[C@@H]3C[C@H]([C@@]14C(=C3)C(=O)C5=C(O4)C(=C6C(=C5O)C=CC(O6)(C)C)C([C@@H]7C(O7)(C)C)O)C(O2)(C)C)/C(=O)O

DOS

IR

Vibrations