Geometry & MOs

Info

ID:

43808

PubChem CID:

10321817

Reduced:

O11C21H28 (1)

Stoich.:

A11B21C28 (1)

Weight, g/mol:

456.189687

ΔHf, kcal/mol:

-470.68

Dipole, Da:

2.7

IP(EA), eV:

 -9.52(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-1-[4,4-difluoro-6-(2H-tetrazol-5-yl)hexyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H](CO1)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)OC(=O)C3=CC=C(C=C3)OC)OC(=O)C

DOS

IR

Vibrations