Geometry & MOs

Info

ID:	314217
PubChem CID:	126620941
Reduced:	ClSO4N5C19H20 (1)
Stoich.:	ABC4D5E19F20 (1)
Weight, g/mol:	189.045964
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	5.49
IP(EA), eV:	-9.18(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4S)-2-oxo-2lambda4-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5C[C@@H]6C[C@H]5CS6(=O)=O)Cl

DOS

IR

Vibrations