Geometry & MOs

Info

ID:	284311
PubChem CID:	104042658
Reduced:	ClSN3O3H10C13 (1)
Stoich.:	ABC3D3E10F13 (1)
Weight, g/mol:	256.992883
ΔH_f, kcal/mol:	-58.67
Dipole, Da:	5.9
IP(EA), eV:	-8.72(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1,3-trioxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)ethanethioamide

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)S(=O)(=O)N(C2=O)CC3=C(C=C(C=C3)N)Cl

DOS

IR

Vibrations