Geometry & MOs

Info

ID:	297541
PubChem CID:	117620696
Reduced:	H7C8F9 (1)
Stoich.:	A7B8C9 (1)
Weight, g/mol:	673.374222
ΔH_f, kcal/mol:	-472.16
Dipole, Da:	3.96
IP(EA), eV:	-12.59(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosanyl)dibenzothiophen-2-yl]carbazole

Drug info:

PubChemData

Smile

CCC1(CC1(C(F)(F)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations