Geometry & MOs

Info

ID:	168147
PubChem CID:	74930025
Reduced:	N2O9C26H34 (1)
Stoich.:	A2B9C26D34 (1)
Weight, g/mol:	398.205301
ΔH_f, kcal/mol:	-378.97
Dipole, Da:	6.47
IP(EA), eV:	-9.31(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(1-ethoxycarbonylpyrrolidine-2-carbonyl)-5,6-dihydroxy-2-azabicyclo[2.2.1]heptane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1C(CC(N1C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations