Geometry & MOs

Info

ID:	118805
PubChem CID:	50659795
Reduced:	Cl2O4N5C31H37 (1)
Stoich.:	A2B4C5D31E37 (1)
Weight, g/mol:	553.245582
ΔH_f, kcal/mol:	-160.09
Dipole, Da:	4.81
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations