Geometry & MOs

Info

ID:

116529

PubChem CID:

50564291

Reduced:

ClN5O5C34H44 (1)

Stoich.:

AB5C5D34E44 (1)

Weight, g/mol:

569.240497

ΔHf, kcal/mol:

-204.29

Dipole, Da:

3.77

IP(EA), eV:

 -9.11(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5)C

DOS

IR

Vibrations