Geometry & MOs

Info

ID:	116986
PubChem CID:	50583899
Reduced:	ClFO4N5C28H33 (1)
Stoich.:	ABC4D5E28F33 (1)
Weight, g/mol:	593.201667
ΔH_f, kcal/mol:	-199.69
Dipole, Da:	1.52
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4F)Cl

DOS

IR

Vibrations