Geometry & MOs

Info

ID:

109351

PubChem CID:

50281383

Reduced:

FSO4N7C31H38 (1)

Stoich.:

ABC4D7E31F38 (1)

Weight, g/mol:

661.327562

ΔHf, kcal/mol:

-167.65

Dipole, Da:

10.38

IP(EA), eV:

 -8.82(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]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)F

DOS

IR

Vibrations