Geometry & MOs

Info

ID:

109353

PubChem CID:

50281385

Reduced:

FSO4N7C33H42 (1)

Stoich.:

ABC4D7E33F42 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-162.2

Dipole, Da:

4.25

IP(EA), eV:

 -8.75(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C(C)C)C)F

DOS

IR

Vibrations