Geometry & MOs

Info

ID:	119880
PubChem CID:	50706063
Reduced:	ClN6O6C35H47 (1)
Stoich.:	AB6C6D35E47 (1)
Weight, g/mol:	548.11898
ΔH_f, kcal/mol:	-256.43
Dipole, Da:	5.74
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)OC

DOS

IR

Vibrations