Geometry & MOs

Info

ID:

116930

PubChem CID:

50581341

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-240.18

Dipole, Da:

8.75

IP(EA), eV:

 -8.69(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)F)Cl

DOS

IR

Vibrations