Geometry & MOs

Info

ID:	37510
PubChem CID:	8021694
Reduced:	Cl2N2O3C19H20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	363.017747
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	1.66
IP(EA), eV:	-9.14(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)OC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations