Geometry & MOs

Info

ID:

110615

PubChem CID:

50332601

Reduced:

F2O5N6C42H50 (1)

Stoich.:

A2B5C6D42E50 (1)

Weight, g/mol:

740.345296

ΔHf, kcal/mol:

-277.37

Dipole, Da:

10.88

IP(EA), eV:

 -8.87(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC(=C(C=C6)F)F)C

DOS

IR

Vibrations