Geometry & MOs

Info

ID:

102260

PubChem CID:

50065701

Reduced:

FO4N5C36H44 (1)

Stoich.:

AB4C5D36E44 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-193.48

Dipole, Da:

6.24

IP(EA), eV:

 -8.7(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations