Geometry & MOs

Info

ID:

120126

PubChem CID:

50714889

Reduced:

ClF2O5N6C40H47 (1)

Stoich.:

AB2C5D6E40F47 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-288.46

Dipole, Da:

5.95

IP(EA), eV:

 -8.57(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations