Geometry & MOs

Info

ID:

113484

PubChem CID:

50447581

Reduced:

ClFO5N6C41H48 (1)

Stoich.:

ABC5D6E41F48 (1)

Weight, g/mol:

579.20486

ΔHf, kcal/mol:

-234.44

Dipole, Da:

2.6

IP(EA), eV:

 -8.88(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCC6)Cl)C

DOS

IR

Vibrations