Geometry & MOs

Info

ID:

111295

PubChem CID:

50361478

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

621.369033

ΔHf, kcal/mol:

-267.65

Dipole, Da:

5.94

IP(EA), eV:

 -8.29(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-fluoro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4F)C(=O)N5CCCCC5

DOS

IR

Vibrations