Geometry & MOs

Info

ID:

427495

PubChem CID:

135159344

Reduced:

INSO2C42H46 (1)

Stoich.:

ABCD2E42F46 (1)

Weight, g/mol:

705.252393

ΔHf, kcal/mol:

260.59

Dipole, Da:

3.94

IP(EA), eV:

 -6.63(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-cyclohexa-1,5-dien-1-yl-5-(3'-phenylspiro[8,8a-dihydrothioxanthene-9,9'-thioxanthene]-2-yl)-3,4,4b,8a-tetrahydrocarbazole

Drug info:

PubChemData

Smile

CC1CC2C(C=C1C3=CC=CC=C3)OC4C=CCCC4C25C6C=CC(CC6OC7C5=CC=CC7)C8=CCCC9C8C(=C(S9)N)/C=C\I

DOS

IR

Vibrations