Geometry & MOs

Info

ID:

111742

PubChem CID:

50379938

Reduced:

F2N5O5C32H41 (1)

Stoich.:

A2B5C5D32E41 (1)

Weight, g/mol:

621.352634

ΔHf, kcal/mol:

-284.67

Dipole, Da:

6.02

IP(EA), eV:

 -9.02(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)F)F)C(=O)N4CCOCC4

DOS

IR

Vibrations