Geometry & MOs

Info

ID:	292728
PubChem CID:	117357481
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.024895
ΔH_f, kcal/mol:	-215.35
Dipole, Da:	2.78
IP(EA), eV:	-9.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC(C)(CO)C1=CC(=C(C(=C1)F)O)C(=O)OC

DOS

IR

Vibrations