Geometry & MOs

Info

ID:

12265

PubChem CID:

133697

Reduced:

O4C27H44 (1)

Stoich.:

A4B27C44 (1)

Weight, g/mol:

432.32396

ΔHf, kcal/mol:

-224.08

Dipole, Da:

2.17

IP(EA), eV:

 -9.13(0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-6-[(1R,3aS,7aR)-4-[2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol

Drug info:

PubChemData

Smile

C[C@H](CC(CC(C)(CO)O)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@@H](CCC3=C)O)C

DOS

IR

Vibrations