Geometry & MOs

Info

ID:	315486
PubChem CID:	126627040
Reduced:	BrF3C5H8 (1)
Stoich.:	AB3C5D8 (1)
Weight, g/mol:	1008.587903
ΔH_f, kcal/mol:	-174.92
Dipole, Da:	3.6
IP(EA), eV:	-11.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-8-octoxydibenzothiophen-2-ol

Drug info:

PubChemData

Smile

CC(C)(CC(F)(F)Br)F

DOS

IR

Vibrations