Geometry & MOs

Info

ID:	24169
PubChem CID:	608218
Reduced:	SO3H4N4C5 (1)
Stoich.:	AB3C4D4E5 (1)
Weight, g/mol:	200.000411
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	3.49
IP(EA), eV:	-9.77(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-oxido-[1,2,5]thiadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione

Drug info:

PubChemData

Smile

CN1C2=NS[N+](=C2C(=O)NC1=O)[O-]

DOS

IR

Vibrations