Geometry & MOs

Info

ID:	37517
PubChem CID:	8021793
Reduced:	Cl2N2O5H14C17 (1)
Stoich.:	A2B2C5D14E17 (1)
Weight, g/mol:	394.048712
ΔH_f, kcal/mol:	-161.11
Dipole, Da:	3.59
IP(EA), eV:	-10.22(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations