Geometry & MOs

Info

ID:

116866

PubChem CID:

50578498

Reduced:

ClN6O6C35H47 (1)

Stoich.:

AB6C6D35E47 (1)

Weight, g/mol:

718.360946

ΔHf, kcal/mol:

-255.37

Dipole, Da:

8.79

IP(EA), eV:

 -9.1(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations