Geometry & MOs

Info

ID:	1603
PubChem CID:	4758
Reduced:	SN2O5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	363.101468
ΔH_f, kcal/mol:	-154.91
Dipole, Da:	5.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758735
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])OC3=CC=CC=C3

DOS

IR

Vibrations