Geometry & MOs

Info

ID:

298218

PubChem CID:

117648069

Reduced:

NH13C20 (3)

Stoich.:

AB13C20 (3)

Weight, g/mol:

566.206822

ΔHf, kcal/mol:

283.38

Dipole, Da:

0.85

IP(EA), eV:

 -7.64(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,7,7-trimethyl-9-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3N(C5=C4C=C(C=C5)N(C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8)C1=CC2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations