Geometry & MOs

Info

ID:	56798
PubChem CID:	22390390
Reduced:	SN4O6H20C22 (1)
Stoich.:	AB4C6D20E22 (1)
Weight, g/mol:	226.071547
ΔH_f, kcal/mol:	-129.79
Dipole, Da:	6.87
IP(EA), eV:	-9.09(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C5=CN=CC(=C5)CO)C(=O)O)C(C)O

DOS

IR

Vibrations