Geometry & MOs

Info

ID:	111462
PubChem CID:	50368904
Reduced:	ClN6O6C33H43 (1)
Stoich.:	AB6C6D33E43 (1)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	-258.35
Dipole, Da:	9.46
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations