Geometry & MOs

Info

ID:

427504

PubChem CID:

135159409

Reduced:

S2H26C37 (1)

Stoich.:

A2B26C37 (1)

Weight, g/mol:

729.346293

ΔHf, kcal/mol:

152.63

Dipole, Da:

0.21

IP(EA), eV:

 -8.31(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-2,4-dien-1-yl-8-(2-cyclohex-3-en-1-ylspiro[3,4,4a,5,6,8a,9a,10a-octahydrothioxanthene-9,9'-3,4-dihydrothioxanthene]-3'-yl)-2-methyl-1,2-dihydrocarbazole

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=C3C(=CC=C2)C4(C5=C(C=C(C=C5)C6=CC=CC=C6)SC7=CC=CC=C74)C8=CC=CC=C8S3

DOS

IR

Vibrations