Geometry & MOs

Info

ID:

120405

PubChem CID:

50725652

Reduced:

ClFN6O6C36H42 (1)

Stoich.:

ABC6D6E36F42 (1)

Weight, g/mol:

490.153846

ΔHf, kcal/mol:

-261.78

Dipole, Da:

6.73

IP(EA), eV:

 -8.87(-0.65)

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-chloro-4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)OC)F

DOS

IR

Vibrations