Geometry & MOs

Info

ID:	118395
PubChem CID:	50641405
Reduced:	ClN4O5C28H33 (1)
Stoich.:	AB4C5D28E33 (1)
Weight, g/mol:	536.180203
ΔH_f, kcal/mol:	-172.45
Dipole, Da:	3.85
IP(EA), eV:	-8.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations