Geometry & MOs

Info

ID:	388940
PubChem CID:	134990670
Reduced:	O3H14C17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	491.147469
ΔH_f, kcal/mol:	-81.82
Dipole, Da:	2.54
IP(EA), eV:	-9.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxycarbonyloxyethyl (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

C1=CC=C2C(=C1)C(C3=CC=CC=C3C2=O)CCC(=O)O

DOS

IR

Vibrations