Geometry & MOs

Info

ID:	284314
PubChem CID:	104042849
Reduced:	BrFSN2O3H8C13 (1)
Stoich.:	ABCD2E3F8G13 (1)
Weight, g/mol:	304.063011
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	5.93
IP(EA), eV:	-9.88(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(methylamino)pyridin-3-yl]methyl]-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)CC3=CC(=CC(=C3)Br)F

DOS

IR

Vibrations