Geometry & MOs

Info

ID:

120084

PubChem CID:

50713278

Reduced:

ClN5O5C35H42 (1)

Stoich.:

AB5C5D35E42 (1)

Weight, g/mol:

573.251811

ΔHf, kcal/mol:

-178.89

Dipole, Da:

3.44

IP(EA), eV:

 -8.26(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-fluoro-3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4C)OC

DOS

IR

Vibrations