Geometry & MOs

Info

ID:	92508
PubChem CID:	49987453
Reduced:	ClFO3N4C28H34 (1)
Stoich.:	ABC3D4E28F34 (1)
Weight, g/mol:	520.304956
ΔH_f, kcal/mol:	-173.65
Dipole, Da:	10.69
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations