Geometry & MOs

Info

ID:

107877

PubChem CID:

50222506

Reduced:

FN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

596.312247

ΔHf, kcal/mol:

-253.2

Dipole, Da:

5.36

IP(EA), eV:

 -8.6(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations