Geometry & MOs

Info

ID:	117772
PubChem CID:	50615113
Reduced:	Cl2O4N5C30H37 (1)
Stoich.:	A2B4C5D30E37 (1)
Weight, g/mol:	474.183397
ΔH_f, kcal/mol:	-164.18
Dipole, Da:	6.95
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations