Geometry & MOs

Info

ID:

107559

PubChem CID:

50208710

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

585.312661

ΔHf, kcal/mol:

-245.86

Dipole, Da:

4.09

IP(EA), eV:

 -9.06(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,5-difluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)N4CCOCC4)Cl)C

DOS

IR

Vibrations