Geometry & MOs

Info

ID:

223844

PubChem CID:

85335649

Reduced:

SF2N3O4C32H37 (1)

Stoich.:

AB2C3D4E32F37 (1)

Weight, g/mol:

597.323643

ΔHf, kcal/mol:

-214.35

Dipole, Da:

5.01

IP(EA), eV:

 -8.86(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-2,2-dimethyloxane-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)F)F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations