Geometry & MOs

Info

ID:	37267
PubChem CID:	8019023
Reduced:	ClON2F3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	6.55
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-methoxyacetate

Drug info:

PubChemData

Smile

C1CCC(C1)N[C@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations