Geometry & MOs

Info

ID:

119553

PubChem CID:

50689760

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-246.48

Dipole, Da:

8.32

IP(EA), eV:

 -9.19(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations