Geometry & MOs

Info

ID:	389017
PubChem CID:	134990916
Reduced:	INO5H10C14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	489.168205
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	8.61
IP(EA), eV:	-9.17(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-azido-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=C(C=C(C=C2I)C=O)[N+](=O)[O-]

DOS

IR

Vibrations