Geometry & MOs

Info

ID:	37512
PubChem CID:	8021709
Reduced:	FCl2N2O3H15C17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	341.002177
ΔH_f, kcal/mol:	-138.05
Dipole, Da:	2.96
IP(EA), eV:	-9.6(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations