Geometry & MOs

Info

ID:	95823
PubChem CID:	50015357
Reduced:	O4N5C31H43 (1)
Stoich.:	A4B5C31D43 (1)
Weight, g/mol:	561.256289
ΔH_f, kcal/mol:	-169.97
Dipole, Da:	5.82
IP(EA), eV:	-8.85(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations