Geometry & MOs

Info

ID:	373057
PubChem CID:	131309229
Reduced:	FSN2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-27.79
Dipole, Da:	2.41
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-hydroxy-6-methyl-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCC(CC1=CC2=C(C=C1F)SC(=N2)C)N

DOS

IR

Vibrations