Geometry & MOs

Info

ID:

90530

PubChem CID:

49970190

Reduced:

N3O3C20H27 (2)

Stoich.:

A3B3C20D27 (2)

Weight, g/mol:

712.431219

ΔHf, kcal/mol:

-249.86

Dipole, Da:

6.28

IP(EA), eV:

 -8.91(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N6CCOCC6

DOS

IR

Vibrations