Geometry & MOs

Info

ID:

298223

PubChem CID:

117648078

Reduced:

NSH35C59 (1)

Stoich.:

ABC35D59 (1)

Weight, g/mol:

619.233371

ΔHf, kcal/mol:

265.94

Dipole, Da:

5.98

IP(EA), eV:

 -8.21(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[10-(3,5-dimethylphenyl)anthracen-9-yl]-5,7,7-trimethylfluoreno[4,3-b][1]benzothiole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC6=C(C=C5)C7=C(C68C9=CC=CC=C9C1=CC=CC=C81)C=CC1=C7SC2=C1C=CC(=C2)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations