Geometry & MOs

Info

ID:

427464

PubChem CID:

135159156

Reduced:

NS2H41C49 (1)

Stoich.:

AB2C41D49 (1)

Weight, g/mol:

687.40763

ΔHf, kcal/mol:

173.71

Dipole, Da:

3.36

IP(EA), eV:

 -8.04(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohex-2-en-1-yl-4-[7'-(cyclohexen-1-yl)spiro[2,3,4,4a,8a,10a-hexahydroxanthene-9,9'-xanthene]-2'-yl]-1,2,3,4,5,6,7,8-octahydrocarbazole

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C3(C4CCC=CC4S2)C5=C(C=C(C=C5)C6=CC=CC=C6)SC7=C3C=C(C=C7)C8CC9=C(C=C8)C1=CC=CC=C1N9C1=CC=CCC1

DOS

IR

Vibrations