Geometry & MOs

Info

ID:

91038

PubChem CID:

49972930

Reduced:

F3O4N5C32H40 (1)

Stoich.:

A3B4C5D32E40 (1)

Weight, g/mol:

708.340211

ΔHf, kcal/mol:

-296.6

Dipole, Da:

7.04

IP(EA), eV:

 -9.01(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations