Geometry & MOs

Info

ID:	318654
PubChem CID:	126652603
Reduced:	N3H31C48 (1)
Stoich.:	A3B31C48 (1)
Weight, g/mol:	590.18167
ΔH_f, kcal/mol:	229.39
Dipole, Da:	1.64
IP(EA), eV:	-7.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7C8=CC=CC=C8N9C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations