Geometry & MOs

Info

ID:

298234

PubChem CID:

117648097

Reduced:

SH34C57 (1)

Stoich.:

AB34C57 (1)

Weight, g/mol:

769.285156

ΔHf, kcal/mol:

244.66

Dipole, Da:

1.03

IP(EA), eV:

 -8.19(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9'-[10-(4-methylphenyl)anthracen-9-yl]-2'-(2,3,4,5,6-pentadeuteriophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(S3)C5=C(C=C4)C6(C7=CC=CC=C7C8=CC=CC=C86)C9=C5C=CC(=C9)C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations