Geometry & MOs

Info

ID:	373979
PubChem CID:	131321964
Reduced:	BrFOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	238.046379
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	1.85
IP(EA), eV:	-8.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-ethyl-5-fluoro-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

CCOC1=C2C(=CC(=C1F)CBr)C=CS2

DOS

IR

Vibrations