Geometry & MOs

Info

ID:	85422
PubChem CID:	49874992
Reduced:	ClHSO3C6 (1)
Stoich.:	ABCD3E6 (1)
Weight, g/mol:	292.958328
ΔH_f, kcal/mol:	-65.95
Dipole, Da:	5.69
IP(EA), eV:	-10.34(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-1,1,3-trioxothieno[2,3-d][1,2]thiazol-2-yl)butanal

Drug info:

PubChemData

Smile

C1=C(SC2=C1C(=O)OC2=O)Cl

DOS

IR

Vibrations