Geometry & MOs

Info

ID:	314106
PubChem CID:	126620421
Reduced:	NSH41C62 (1)
Stoich.:	ABC41D62 (1)
Weight, g/mol:	831.295971
ΔH_f, kcal/mol:	257.88
Dipole, Da:	3.35
IP(EA), eV:	-8.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-dibenzothiophen-2-ylphenyl)-3,5-bis(3,5-diphenylphenyl)indole

Drug info:

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=C(C=C8)C9=CC=CC1=C9SC2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations