Geometry & MOs

Info

ID:	193872
PubChem CID:	78449757
Reduced:	N3O6C19H19 (1)
Stoich.:	A3B6C19D19 (1)
Weight, g/mol:	511.194122
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	7.25
IP(EA), eV:	-9.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-4-(pyrazine-2-carbonylamino)piperidin-1-yl]-2-oxoethoxy]acetate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations