Geometry & MOs

Info

ID:	373898
PubChem CID:	131321098
Reduced:	NOSH9C12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	226.009993
ΔH_f, kcal/mol:	32.08
Dipole, Da:	4.05
IP(EA), eV:	-9.25(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-7-hydroxy-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1)C=C(S2)C=O)C#N

DOS

IR

Vibrations