Geometry & MOs

Info

ID:	230022
PubChem CID:	87569886
Reduced:	S2F3O5C13H13 (1)
Stoich.:	A2B3C5D13E13 (1)
Weight, g/mol:	384.157288
ΔH_f, kcal/mol:	-327.45
Dipole, Da:	11.46
IP(EA), eV:	-9.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3,6-trihydroxyphenyl)-2-adamantyl]benzene-1,2,4-triol

Drug info:

PubChemData

Smile

CS(C)(C1=C2C=C(C=CC2=C(C=C1)O)O)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations