Geometry & MOs

Info

ID:

314131

PubChem CID:

126620555

Reduced:

NH49C69 (1)

Stoich.:

AB49C69 (1)

Weight, g/mol:

733.280321

ΔHf, kcal/mol:

253.95

Dipole, Da:

4.0

IP(EA), eV:

 -8.05(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(5,5-dimethyldibenzothiophen-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole

Drug info:

PubChemData

Smile

CC1(C2=C(CCC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)N5C=C(C6=C5C=CC(=C6)C7=CC=C(C=C7)C8=CC9=CC=CC=C9C1=CC=CC=C18)C1=CC=C(C=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations