Geometry & MOs

Info

ID:

116514

PubChem CID:

50563691

Reduced:

ClFO5N6C40H46 (1)

Stoich.:

ABC5D6E40F46 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-224.77

Dipole, Da:

4.68

IP(EA), eV:

 -8.94(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6=CC=C(C=C6)F

DOS

IR

Vibrations