Geometry & MOs

Info

ID:

298213

PubChem CID:

117648057

Reduced:

N2H20C31 (2)

Stoich.:

A2B20C31 (2)

Weight, g/mol:

580.222472

ΔHf, kcal/mol:

304.85

Dipole, Da:

3.02

IP(EA), eV:

 -7.64(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,7,7-trimethyl-9-[10-(4-methylphenyl)anthracen-9-yl]fluoreno[4,3-b][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4N(C6=C5C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC2=CC=CC=C2C=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations