Geometry & MOs

Info

ID:	27328
PubChem CID:	820681
Reduced:	SO3H8C9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	232.89685
ΔH_f, kcal/mol:	-100.41
Dipole, Da:	4.75
IP(EA), eV:	-9.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-methylthieno[2,3-d][1,2]thiazole

Drug info:

PubChemData

Smile

C1[C@@H](CC(=O)C2=C1C=CS2)C(=O)O

DOS

IR

Vibrations