Geometry & MOs

Info

ID:

427502

PubChem CID:

135159407

Reduced:

S2H34C37 (1)

Stoich.:

A2B34C37 (1)

Weight, g/mol:

679.34503

ΔHf, kcal/mol:

115.93

Dipole, Da:

2.52

IP(EA), eV:

 -8.41(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-1,3-dien-1-yl-4-[8'-(cyclohexen-1-yl)spiro[1,5,6,9a-tetrahydroxanthene-9,9'-5,6-dihydroxanthene]-3'-yl]-1,2-dihydrocarbazole

Drug info:

PubChemData

Smile

C1CC=C2C(C1)SC3=C(C=CC=C3C24C5CCC=CC5SC6C4C=C(C=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations