Geometry & MOs

Info

ID:	160684
PubChem CID:	57389437
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-79.93
Dipole, Da:	5.45
IP(EA), eV:	-9.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

C=CCOC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCC3=CC=CC=C3

DOS

IR

Vibrations