Geometry & MOs

Info

ID:	116937
PubChem CID:	50581507
Reduced:	ClN5O5C31H38 (1)
Stoich.:	AB5C5D31E38 (1)
Weight, g/mol:	539.229932
ΔH_f, kcal/mol:	-194.71
Dipole, Da:	10.52
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations