Geometry & MOs

Info

ID:	298428
PubChem CID:	117649427
Reduced:	SN3H33C54 (1)
Stoich.:	AB3C33D54 (1)
Weight, g/mol:	679.208219
ΔH_f, kcal/mol:	252.73
Dipole, Da:	4.37
IP(EA), eV:	-7.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-carbazol-9-ylcarbazol-3-yl)-9-dibenzothiophen-4-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC3=C1SC1=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations