Geometry & MOs

Info

ID:

108246

PubChem CID:

50237746

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-179.33

Dipole, Da:

9.44

IP(EA), eV:

 -8.76(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations