Geometry & MOs

Info

ID:	294581
PubChem CID:	117471975
Reduced:	FSO5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-246.68
Dipole, Da:	7.48
IP(EA), eV:	-9.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C(=C1OC)OC)S(=O)(=O)C)F)O

DOS

IR

Vibrations