Geometry & MOs

Info

ID:

116915

PubChem CID:

50580853

Reduced:

ClFN5O5C34H39 (1)

Stoich.:

ABC5D5E34F39 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-222.9

Dipole, Da:

6.66

IP(EA), eV:

 -8.65(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4OC)F)Cl

DOS

IR

Vibrations