Geometry & MOs

Info

ID:

427471

PubChem CID:

135159198

Reduced:

NS2H47C50 (1)

Stoich.:

AB2C47D50 (1)

Weight, g/mol:

711.299343

ΔHf, kcal/mol:

245.58

Dipole, Da:

2.05

IP(EA), eV:

 -7.96(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-phenyl-3-(6-phenylspiro[4a,8a,9a,10a-tetrahydrothioxanthene-9,9'-4a,9a-dihydrothioxanthene]-3-yl)-1,2,3,4,4a,7,8,9a-octahydrocarbazole

Drug info:

PubChemData

Smile

CC12CC=CC=C1C3(C4C=CC=CC4S2)C5=C(C(CC=C5)C6=CCCC=C6)SC7=C3C=CC(C7)C8=CC9C(C=C8)N(C1=CC=CC=C91)C1=CC=CCC1

DOS

IR

Vibrations