Geometry & MOs

Info

ID:	118224
PubChem CID:	50634310
Reduced:	ClF2O5N6C35H39 (1)
Stoich.:	AB2C5D6E35F39 (1)
Weight, g/mol:	484.224119
ΔH_f, kcal/mol:	-274.33
Dipole, Da:	4.68
IP(EA), eV:	-9.13(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations