Geometry & MOs

Info

ID:	377293
PubChem CID:	134223341
Reduced:	S2N4C27H52 (1)
Stoich.:	A2B4C27D52 (1)
Weight, g/mol:	690.267114
ΔH_f, kcal/mol:	20.76
Dipole, Da:	3.92
IP(EA), eV:	-8.31(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

CCC1(CC2C1C(C2)SCCN=C(CCCCCCC(=NCCSC(C)(CC)CC)N)N)C

DOS

IR

Vibrations