Geometry & MOs

Info

ID:	373903
PubChem CID:	131321133
Reduced:	FSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	252.027872
ΔH_f, kcal/mol:	-140.38
Dipole, Da:	2.5
IP(EA), eV:	-8.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-3-methylsulfanyl-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)F)SC(=C2O)CC(=O)O

DOS

IR

Vibrations