Geometry & MOs

Info

ID:

112057

PubChem CID:

50393240

Reduced:

ClF3O4N5C32H39 (1)

Stoich.:

AB3C4D5E32F39 (1)

Weight, g/mol:

631.298154

ΔHf, kcal/mol:

-337.82

Dipole, Da:

4.64

IP(EA), eV:

 -8.79(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-[2-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)C(=O)NC4CCCCC4

DOS

IR

Vibrations