Geometry & MOs

Info

ID:

117688

PubChem CID:

50610895

Reduced:

ClN5O5C31H42 (1)

Stoich.:

AB5C5D31E42 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-208.8

Dipole, Da:

6.41

IP(EA), eV:

 -8.98(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-(4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C)OC)Cl

DOS

IR

Vibrations