Geometry & MOs

Info

ID:

115370

PubChem CID:

50521001

Reduced:

ClN6O6C26H31 (1)

Stoich.:

AB6C6D26E31 (1)

Weight, g/mol:

590.181124

ΔHf, kcal/mol:

-233.75

Dipole, Da:

6.38

IP(EA), eV:

 -8.21(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[2-[4-chloro-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)OC

DOS

IR

Vibrations