Geometry & MOs

Info

ID:

116072

PubChem CID:

50545723

Reduced:

ClFN6O6C39H46 (1)

Stoich.:

ABC6D6E39F46 (1)

Weight, g/mol:

684.320224

ΔHf, kcal/mol:

-259.52

Dipole, Da:

15.53

IP(EA), eV:

 -8.73(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-fluoro-5-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2OC)F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations