Geometry & MOs

Info

ID:	117186
PubChem CID:	50594077
Reduced:	ClO3N4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	564.146174
ΔH_f, kcal/mol:	-116.15
Dipole, Da:	4.88
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2,4-dichlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations