Geometry & MOs

Info

ID:

47278

PubChem CID:

10531073

Reduced:

O5C36H56 (1)

Stoich.:

A5B36C56 (1)

Weight, g/mol:

569.183838

ΔHf, kcal/mol:

-272.11

Dipole, Da:

4.15

IP(EA), eV:

 -9.21(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-nitrophenoxy]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC/C=C\C(=O)O[C@H]1CC(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)C=O)(C)C

DOS

IR

Vibrations