Geometry & MOs

Info

ID:

120211

PubChem CID:

50717969

Reduced:

ClN5O5C29H38 (1)

Stoich.:

AB5C5D29E38 (1)

Weight, g/mol:

585.271797

ΔHf, kcal/mol:

-206.3

Dipole, Da:

3.79

IP(EA), eV:

 -8.12(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations