Geometry & MOs

Info

ID:

100679

PubChem CID:

50063551

Reduced:

ClF2O5N6C40H45 (1)

Stoich.:

AB2C5D6E40F45 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-276.61

Dipole, Da:

12.96

IP(EA), eV:

 -8.77(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-ethylanilino)-1-oxopropan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)NC(=O)C6CCCCC6

DOS

IR

Vibrations