Geometry & MOs

Info

ID:

115272

PubChem CID:

50516218

Reduced:

Cl2O5N6C29H36 (1)

Stoich.:

A2B5C6D29E36 (1)

Weight, g/mol:

632.228074

ΔHf, kcal/mol:

-200.22

Dipole, Da:

9.08

IP(EA), eV:

 -8.94(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations