Geometry & MOs

Info

ID:

218678

PubChem CID:

85089798

Reduced:

O4C33H34 (1)

Stoich.:

A4B33C34 (1)

Weight, g/mol:

494.286609

ΔHf, kcal/mol:

-75.13

Dipole, Da:

4.68

IP(EA), eV:

 -8.91(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[1-(5-tert-butylsulfonyl-5-fluoropent-4-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC5=CC=C(C=C5)O)O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations