Geometry & MOs

Info

ID:	311
PubChem CID:	2559
Reduced:	SN2O6H16C17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	376.072907
ΔH_f, kcal/mol:	-171.61
Dipole, Da:	8.07
IP(EA), eV:	-9.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C

DOS

IR

Vibrations