Geometry & MOs

Info

ID:

181999

PubChem CID:

76825651

Reduced:

O7C51H68 (1)

Stoich.:

A7B51C68 (1)

Weight, g/mol:

562.284301

ΔHf, kcal/mol:

-174.59

Dipole, Da:

4.06

IP(EA), eV:

 -9.19(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N,3-diphenyl-5-propan-2-yl-1-(3,5,7,7-tetrahydroxyheptyl)-2,3-dihydropyrrole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC1C(OC(O1)(C)C)C(C)CC=C2C(C(C3C(O2)COC(O3)C#CC#CC#CC)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations