Geometry & MOs

Info

ID:	373260
PubChem CID:	131312312
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	238.02998
ΔH_f, kcal/mol:	-95.29
Dipole, Da:	4.6
IP(EA), eV:	-9.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-4-methoxy-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)(CC#N)C1=C(C(=CC(=C1)OC)O)F

DOS

IR

Vibrations