Geometry & MOs

Info

ID:

117790

PubChem CID:

50615943

Reduced:

ClN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

513.214282

ΔHf, kcal/mol:

-207.71

Dipole, Da:

3.02

IP(EA), eV:

 -8.73(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations