Geometry & MOs

Info

ID:

427492

PubChem CID:

135159341

Reduced:

NS2H39C49 (1)

Stoich.:

AB2C39D49 (1)

Weight, g/mol:

705.252393

ΔHf, kcal/mol:

193.72

Dipole, Da:

1.71

IP(EA), eV:

 -8.24(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(C=C1)C3C=C(C=CC3N2C4=CC=CC=C4)C5=CC6=C(C=C5)SC7CC=CC=C7C68C9=C(C=C(C=C9)C1=CC=CC=C1)SC1=CC=CC=C81

DOS

IR

Vibrations