Geometry & MOs

Info

ID:	295085
PubChem CID:	117516155
Reduced:	SO6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	341.95147
ΔH_f, kcal/mol:	-237.71
Dipole, Da:	9.29
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)cyclopropan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)S(=O)(=O)C)OC)C2(CCCCC2)C(=O)O

DOS

IR

Vibrations