Geometry & MOs

Info

ID:	25001
PubChem CID:	616471
Reduced:	O2S2H6C11 (1)
Stoich.:	A2B2C6D11 (1)
Weight, g/mol:	233.980922
ΔH_f, kcal/mol:	-21.94
Dipole, Da:	6.2
IP(EA), eV:	-9.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thieno[3,2-e][1]benzothiole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C3=C(C(=C2)C(=O)O)SC=C3

DOS

IR

Vibrations