Geometry & MOs

Info

ID:	36507
PubChem CID:	8007726
Reduced:	ClFNO5H19C20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-197.44
Dipole, Da:	6.93
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)OC

DOS

IR

Vibrations