Geometry & MOs

Info

ID:

427491

PubChem CID:

135159340

Reduced:

SN2O2H42C43 (1)

Stoich.:

AB2C2D42E43 (1)

Weight, g/mol:

705.252393

ΔHf, kcal/mol:

114.59

Dipole, Da:

4.03

IP(EA), eV:

 -7.96(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-phenyl-6-(3'-phenylspiro[5,10a-dihydrothioxanthene-9,9'-thioxanthene]-2-yl)-1,2,4a,4b,8a,9a-hexahydrocarbazole

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)OC3=C(C24C5C=CC(=CC5OC6(C4=CCCC6)C)C7=C8C9=C(NCC=C9)SC8=CC=C7)C=CC(C3)C1=CCCC=N1

DOS

IR

Vibrations