Geometry & MOs

Info

ID:

427496

PubChem CID:

135159345

Reduced:

NS2H39C49 (1)

Stoich.:

AB2C39D49 (1)

Weight, g/mol:

729.346293

ΔHf, kcal/mol:

260.46

Dipole, Da:

0.7

IP(EA), eV:

 -7.78(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-cyclohexa-1,5-dien-1-ylspiro[3,4,4a,8a,9a,10a-hexahydrothioxanthene-9,9'-thioxanthene]-2'-yl)-9-(6-methylcyclohexen-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole

Drug info:

PubChemData

Smile

C1CC=C(C=C1)N2C3C=CC=C(C3C4=C2C=CCC4)C5=CC6=C(C=C5)SC7=CC=CCC7C68C9=C(C=C(C=C9)C1=CC=CC=C1)SC1=CC=CC=C81

DOS

IR

Vibrations