Geometry & MOs

Info

ID:

92785

PubChem CID:

49989557

Reduced:

O5N6C39H52 (1)

Stoich.:

A5B6C39D52 (1)

Weight, g/mol:

698.415569

ΔHf, kcal/mol:

-215.46

Dipole, Da:

4.35

IP(EA), eV:

 -8.91(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCCCC6

DOS

IR

Vibrations