Geometry & MOs

Info

ID:	380258
PubChem CID:	134970643
Reduced:	C2N2O2H5 (1)
Stoich.:	A2B2C2D5 (1)
Weight, g/mol:	352.167459
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754946
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3R)-3-benzoyl-2-phenyloxolane-2-carboxylate

Drug info:

PubChemData

Smile

C1C(ON=[NH+]1)O

DOS

IR

Vibrations