Geometry & MOs

Info

ID:	116453
PubChem CID:	50561177
Reduced:	ClF2O3N4C24H27 (1)
Stoich.:	AB2C3D4E24F27 (1)
Weight, g/mol:	567.261232
ΔH_f, kcal/mol:	-193.34
Dipole, Da:	4.85
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations