Geometry & MOs

Info

ID:

116674

PubChem CID:

50571081

Reduced:

ClN6O6C41H49 (1)

Stoich.:

AB6C6D41E49 (1)

Weight, g/mol:

632.228074

ΔHf, kcal/mol:

-226.5

Dipole, Da:

9.82

IP(EA), eV:

 -8.03(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-chloro-4-(2-methylpropylcarbamoyl)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(=C(C=C5)NC(=O)C6=CC=CC=C6)OC

DOS

IR

Vibrations