Geometry & MOs

Info

ID:	34107
PubChem CID:	7889838
Reduced:	N3O7C13H13 (1)
Stoich.:	A3B7C13D13 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-169.89
Dipole, Da:	8.27
IP(EA), eV:	-9.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(2-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations