Geometry & MOs

Info

ID:	373906
PubChem CID:	131321178
Reduced:	SN2O3H4C9 (1)
Stoich.:	AB2C3D4E9 (1)
Weight, g/mol:	238.046379
ΔH_f, kcal/mol:	27.09
Dipole, Da:	2.55
IP(EA), eV:	-9.42(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-7-fluoro-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1O)C#N)[N+](=O)[O-]

DOS

IR

Vibrations