Geometry & MOs

Info

ID:	284312
PubChem CID:	104042782
Reduced:	S2N3O3H7C8 (1)
Stoich.:	A2B3C3D7E8 (1)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	8.73
IP(EA), eV:	-8.65(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-3-(propan-2-ylamino)propyl]-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)S(=O)(=O)N(C2=O)CC(=S)N

DOS

IR

Vibrations