Geometry & MOs

Info

ID:

127480

PubChem CID:

51003418

Reduced:

O10C19H20 (1)

Stoich.:

A10B19C20 (1)

Weight, g/mol:

576.319937

ΔHf, kcal/mol:

-382.35

Dipole, Da:

5.42

IP(EA), eV:

 -9.31(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,9-diazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)O)C(=O)C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

DOS

IR

Vibrations