Geometry & MOs

Info

ID:	373065
PubChem CID:	131309369
Reduced:	SO2N3C6H13 (1)
Stoich.:	AB2C3D6E13 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-75.24
Dipole, Da:	4.62
IP(EA), eV:	-9.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-hydroxy-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CNS(=O)(=O)N2C1CNCC2

DOS

IR

Vibrations