Geometry & MOs

Info

ID:

12315

PubChem CID:

134703

Reduced:

O4C27H42 (1)

Stoich.:

A4B27C42 (1)

Weight, g/mol:

430.30831

ΔHf, kcal/mol:

-206.77

Dipole, Da:

3.09

IP(EA), eV:

 -8.86(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-6-[(1R,7aR)-4-[2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one

Drug info:

PubChemData

Smile

C[C@H](CC(C(=O)C(C)(C)O)O)[C@H]1CCC2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C

DOS

IR

Vibrations