Geometry & MOs

Info

ID:

109566

PubChem CID:

50288610

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-226.43

Dipole, Da:

12.65

IP(EA), eV:

 -8.75(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations