Geometry & MOs

Info

ID:	314139
PubChem CID:	126620575
Reduced:	NH41C60 (1)
Stoich.:	AB41C60 (1)
Weight, g/mol:	603.202071
ΔH_f, kcal/mol:	248.48
Dipole, Da:	2.41
IP(EA), eV:	-8.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dibenzothiophen-4-yl-3,5-bis(4-phenylphenyl)indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC4=C(C=C3)N(C=C4C5=C(C=C(C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC1=CC=CC=C1C=C9)C1=CC=CC=C1

DOS

IR

Vibrations