Geometry & MOs

Info

ID:

116385

PubChem CID:

50558840

Reduced:

Cl2O5N6C31H38 (1)

Stoich.:

A2B5C6D31E38 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-215.4

Dipole, Da:

7.38

IP(EA), eV:

 -9.08(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)N)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations