Geometry & MOs

Info

ID:

112838

PubChem CID:

50421989

Reduced:

F2O4N5C37H43 (1)

Stoich.:

A2B4C5D37E43 (1)

Weight, g/mol:

553.306433

ΔHf, kcal/mol:

-233.98

Dipole, Da:

4.29

IP(EA), eV:

 -9.15(-0.56)

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-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations