Geometry & MOs

Info

ID:

119108

PubChem CID:

50670241

Reduced:

Cl2F3O4N5C30H34 (1)

Stoich.:

A2B3C4D5E30F34 (1)

Weight, g/mol:

637.227881

ΔHf, kcal/mol:

-332.79

Dipole, Da:

4.48

IP(EA), eV:

 -9.04(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)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)NC4CCCC4)Cl

DOS

IR

Vibrations