Geometry & MOs

Info

ID:	194599
PubChem CID:	78559808
Reduced:	ClFNO5H17C20 (1)
Stoich.:	ABCD5E17F20 (1)
Weight, g/mol:	400.095663
ΔH_f, kcal/mol:	-208.96
Dipole, Da:	3.79
IP(EA), eV:	-9.48(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations