Geometry & MOs

Info

ID:

310467

PubChem CID:

126580605

Reduced:

IO4C23H28 (2)

Stoich.:

AB4C23D28 (2)

Weight, g/mol:

412.297745

ΔHf, kcal/mol:

-202.4

Dipole, Da:

3.91

IP(EA), eV:

 -8.38(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5Z)-5-[(2E)-2-[(7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-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

C1COCCOCCOC2=C3CC4=CC=CC(=C4OCCCCI)CC5=C(C(=CC=C5)CC6=C(C(=CC=C6)CC2=CC=C3)OCCCCI)OCCOCCO1

DOS

IR

Vibrations