Geometry & MOs

Info

ID:	119679
PubChem CID:	50696368
Reduced:	ClN4O4C27H33 (1)
Stoich.:	AB4C4D27E33 (1)
Weight, g/mol:	510.239769
ΔH_f, kcal/mol:	-156.21
Dipole, Da:	4.47
IP(EA), eV:	-8.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations