Geometry & MOs

Info

ID:	118153
PubChem CID:	50631061
Reduced:	ClFO4N5C30H31 (1)
Stoich.:	ABC4D5E30F31 (1)
Weight, g/mol:	561.214282
ΔH_f, kcal/mol:	-153.59
Dipole, Da:	3.85
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations