Geometry & MOs

Info

ID:

119716

PubChem CID:

50697673

Reduced:

Cl2F3O4N5C31H36 (1)

Stoich.:

A2B3C4D5E31F36 (1)

Weight, g/mol:

651.243532

ΔHf, kcal/mol:

-341.47

Dipole, Da:

9.2

IP(EA), eV:

 -9.09(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[2-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations