Geometry & MOs

Info

ID:	167414
PubChem CID:	74825095
Reduced:	N2C3H4O4 (1)
Stoich.:	A2B3C4D4 (1)
Weight, g/mol:	297.060569
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	4.05
IP(EA), eV:	-10.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-7aH-[1,3]thiazolo[4,5-b]pyridin-7-olate

Drug info:

PubChemData

Smile

C1(C(=O)NON1)C(=O)O

DOS

IR

Vibrations