Geometry & MOs

Info

ID:

82453

PubChem CID:

49856049

Reduced:

O15C25H26 (1)

Stoich.:

A15B25C26 (1)

Weight, g/mol:

432.32396

ΔHf, kcal/mol:

-566.52

Dipole, Da:

7.47

IP(EA), eV:

 -9.23(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5E)-5-[(2Z)-2-[(1R,7aR)-1-(6,7-dihydroxy-6-methylheptan-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

C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O)O)O

DOS

IR

Vibrations