Geometry & MOs

Info

ID:

115892

PubChem CID:

50537667

Reduced:

Cl2O5N6C36H40 (1)

Stoich.:

A2B5C6D36E40 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-177.09

Dipole, Da:

9.12

IP(EA), eV:

 -8.85(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations