Geometry & MOs

Info

ID:

115996

PubChem CID:

50542603

Reduced:

ClFO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-213.63

Dipole, Da:

8.7

IP(EA), eV:

 -8.9(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations