Geometry & MOs

Info

ID:	100246
PubChem CID:	50059462
Reduced:	ClN5O5C31H34 (1)
Stoich.:	AB5C5D31E34 (1)
Weight, g/mol:	555.284555
ΔH_f, kcal/mol:	-156.4
Dipole, Da:	13.81
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations