Geometry & MOs

Info

ID:

105603

PubChem CID:

50130556

Reduced:

FN6O6C43H49 (1)

Stoich.:

AB6C6D43E49 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-246.87

Dipole, Da:

7.67

IP(EA), eV:

 -8.52(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations