Geometry & MOs

Info

ID:

91164

PubChem CID:

49973742

Reduced:

N6O6C37H48 (1)

Stoich.:

A6B6C37D48 (1)

Weight, g/mol:

686.379183

ΔHf, kcal/mol:

-237.26

Dipole, Da:

3.64

IP(EA), eV:

 -8.81(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-3-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N6CCCC6

DOS

IR

Vibrations