Geometry & MOs

Info

ID:	226158
PubChem CID:	87325980
Reduced:	S2F6H16C23 (1)
Stoich.:	A2B6C16D23 (1)
Weight, g/mol:	470.059762
ΔH_f, kcal/mol:	-228.06
Dipole, Da:	3.58
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,2,2,3,4,5-hexafluoro-5-(2-methyl-1-benzothiophen-3-yl)cyclopentyl]-2-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2S1)C3(CC(C(C3(C4=C(SC5=CC=CC=C54)C)F)(F)F)(F)F)F

DOS

IR

Vibrations