Geometry & MOs

Info

ID:

113923

PubChem CID:

50464687

Reduced:

FCl2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-190.22

Dipole, Da:

7.75

IP(EA), eV:

 -8.67(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)Cl)C)F

DOS

IR

Vibrations