Geometry & MOs

Info

ID:	116302
PubChem CID:	50555851
Reduced:	Cl2F3O3N4C26H29 (1)
Stoich.:	A2B3C3D4E26F29 (1)
Weight, g/mol:	514.234683
ΔH_f, kcal/mol:	-280.54
Dipole, Da:	4.77
IP(EA), eV:	-9.13(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)Cl

DOS

IR

Vibrations