Geometry & MOs

Info

ID:	37511
PubChem CID:	8021701
Reduced:	Cl2N3O3H11C16 (1)
Stoich.:	A2B3C3D11E16 (1)
Weight, g/mol:	384.044376
ΔH_f, kcal/mol:	-51.59
Dipole, Da:	6.48
IP(EA), eV:	-9.42(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations