Geometry & MOs

Info

ID:

110350

PubChem CID:

50321272

Reduced:

ClFN6O6C40H46 (1)

Stoich.:

ABC6D6E40F46 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-260.11

Dipole, Da:

5.0

IP(EA), eV:

 -8.86(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N6CCOCC6)C)F

DOS

IR

Vibrations