Geometry & MOs

Info

ID:

427470

PubChem CID:

135159197

Reduced:

O2N3C34H41 (1)

Stoich.:

A2B3C34D41 (1)

Weight, g/mol:

725.314993

ΔHf, kcal/mol:

-10.39

Dipole, Da:

2.8

IP(EA), eV:

 -8.8(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-1,3-dien-1-yl-3-(5-cyclohexa-1,5-dien-1-yl-4'a-methylspiro[3,4,5,6-tetrahydrothioxanthene-9,9'-8a,10a-dihydro-4H-thioxanthene]-3-yl)-4a,9a-dihydrocarbazole

Drug info:

PubChemData

Smile

CC(CNCN)C1=CC2C(C=C1)C3([C@H]4CCC(CC4O2)C5CCCC=N5)C6=CC=CC=C6OC7=CC=CC=C37

DOS

IR

Vibrations