Geometry & MOs

Info

ID:

112338

PubChem CID:

50403256

Reduced:

ClF3O4N5C32H41 (1)

Stoich.:

AB3C4D5E32F41 (1)

Weight, g/mol:

579.34207

ΔHf, kcal/mol:

-339.45

Dipole, Da:

9.62

IP(EA), eV:

 -9.31(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C

DOS

IR

Vibrations