Geometry & MOs

Info

ID:

120515

PubChem CID:

50730962

Reduced:

ClFO4N5H33C35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-138.75

Dipole, Da:

10.86

IP(EA), eV:

 -8.66(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations