Geometry & MOs

Info

ID:	27329
PubChem CID:	820696
Reduced:	BrNS2H4C6 (1)
Stoich.:	ABC2D4E6 (1)
Weight, g/mol:	198.976171
ΔH_f, kcal/mol:	59.92
Dipole, Da:	2.64
IP(EA), eV:	-8.73(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylthieno[2,3-d][1,2]thiazole-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NSC2=C1SC=C2Br

DOS

IR

Vibrations