Geometry & MOs

Info

ID:	373477
PubChem CID:	131315929
Reduced:	FSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	238.046379
ΔH_f, kcal/mol:	-110.01
Dipole, Da:	6.19
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-3-fluoro-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C2=C1C=CS2)CC(=O)O)F

DOS

IR

Vibrations