Geometry & MOs

Info

ID:	226157
PubChem CID:	87325955
Reduced:	BNO3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	470.059762
ΔH_f, kcal/mol:	-13.48
Dipole, Da:	3.35
IP(EA), eV:	-8.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B]C1=C2C(=CC=C1)C=CC3=CC4=CC=CC=C4C=C32.C(CO)N(CCO)CCO

DOS

IR

Vibrations