Geometry & MOs

Info

ID:	119678
PubChem CID:	50696280
Reduced:	ClN6O6C37H51 (1)
Stoich.:	AB6C6D37E51 (1)
Weight, g/mol:	512.219033
ΔH_f, kcal/mol:	-246.95
Dipole, Da:	6.34
IP(EA), eV:	-9.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations