Geometry & MOs

Info

ID:

99161

PubChem CID:

50048736

Reduced:

FSO4N7C33H42 (1)

Stoich.:

ABC4D7E33F42 (1)

Weight, g/mol:

669.293817

ΔHf, kcal/mol:

-173.63

Dipole, Da:

16.35

IP(EA), eV:

 -8.54(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations