Geometry & MOs

Info

ID:	294580
PubChem CID:	117471821
Reduced:	N2O6H12C13 (1)
Stoich.:	A2B6C12D13 (1)
Weight, g/mol:	292.078073
ΔH_f, kcal/mol:	-168.43
Dipole, Da:	6.33
IP(EA), eV:	-8.96(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2,3-dimethoxy-4-methylsulfonylphenyl)propan-2-ol

Drug info:

PubChemData

Smile

CN1/C(=C\2/C=C(C(=CC2=O)OC)C(=O)O)/C=C(N1)C(=O)O

DOS

IR

Vibrations