Geometry & MOs

Info

ID:

116634

PubChem CID:

50569584

Reduced:

ClFN6O6C36H40 (1)

Stoich.:

ABC6D6E36F40 (1)

Weight, g/mol:

587.231075

ΔHf, kcal/mol:

-249.15

Dipole, Da:

8.9

IP(EA), eV:

 -8.91(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations