Geometry & MOs

Info

ID:	338167
PubChem CID:	127258859
Reduced:	NaN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	244.051778
ΔH_f, kcal/mol:	-159.39
Dipole, Da:	10.38
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,8-dioxo-3,6,7,8a-tetrahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-6-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)[O-])N)N.[Na+]

DOS

IR

Vibrations