Geometry & MOs

Info

ID:

117063

PubChem CID:

50587398

Reduced:

Cl2N6O6C31H38 (1)

Stoich.:

A2B6C6D31E38 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-236.77

Dipole, Da:

5.56

IP(EA), eV:

 -9.04(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[2-(piperidine-1-carbonyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations