Geometry & MOs

Info

ID:	176877
PubChem CID:	76107104
Reduced:	N4O8C17H22 (1)
Stoich.:	A4B8C17D22 (1)
Weight, g/mol:	588.254377
ΔH_f, kcal/mol:	-254.72
Dipole, Da:	2.95
IP(EA), eV:	-9.53(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(2-aminopropanoylamino)propanoyl]pyrrolidine-2-carbonyl]-2-(2-methoxypropan-2-yl)-N-(4-nitrophenyl)-3,6-dioxopiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OCC(=O)O)C([N-][N+]#N)O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations