Geometry & MOs

Info

ID:

118206

PubChem CID:

50633453

Reduced:

Cl2O5N6C39H50 (1)

Stoich.:

A2B5C6D39E50 (1)

Weight, g/mol:

766.337624

ΔHf, kcal/mol:

-217.57

Dipole, Da:

12.52

IP(EA), eV:

 -8.98(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCCCC6

DOS

IR

Vibrations