Geometry & MOs

Info

ID:

298245

PubChem CID:

117648126

Reduced:

SH32C55 (1)

Stoich.:

AB32C55 (1)

Weight, g/mol:

605.217721

ΔHf, kcal/mol:

355.06

Dipole, Da:

1.15

IP(EA), eV:

 -8.02(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)C8=C(C79C1=CC=CC=C1C1=CC=CC=C91)C=CC1=C8SC2=CC=CC=C12

DOS

IR

Vibrations