Geometry & MOs

Info

ID:

91171

PubChem CID:

49973783

Reduced:

F2N6O6C39H44 (1)

Stoich.:

A2B6C6D39E44 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-291.24

Dipole, Da:

9.47

IP(EA), eV:

 -8.98(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]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)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations