Geometry & MOs

Info

ID:

117445

PubChem CID:

50603271

Reduced:

ClN5O5C31H42 (1)

Stoich.:

AB5C5D31E42 (1)

Weight, g/mol:

585.271797

ΔHf, kcal/mol:

-206.65

Dipole, Da:

8.28

IP(EA), eV:

 -8.2(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations