Geometry & MOs

Info

ID:

117614

PubChem CID:

50608669

Reduced:

Cl2O5N6C34H42 (1)

Stoich.:

A2B5C6D34E42 (1)

Weight, g/mol:

553.170367

ΔHf, kcal/mol:

-212.54

Dipole, Da:

12.56

IP(EA), eV:

 -8.84(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC

DOS

IR

Vibrations