Geometry & MOs

Info

ID:	314105
PubChem CID:	126620420
Reduced:	NSH37C56 (1)
Stoich.:	ABC37D56 (1)
Weight, g/mol:	831.295971
ΔH_f, kcal/mol:	237.03
Dipole, Da:	3.73
IP(EA), eV:	-8.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-dibenzothiophen-4-ylphenyl)-3,5-bis(3,5-diphenylphenyl)indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC4=C(C=C3)N(C=C4C5=CC(=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC9=C8SC1=CC=CC=C91)C1=CC=CC=C1

DOS

IR

Vibrations