Geometry & MOs

Info

ID:

434755

PubChem CID:

135175643

Reduced:

ClSF2N3O7C41H50 (1)

Stoich.:

ABC2D3E7F41G50 (1)

Weight, g/mol:

655.289149

ΔHf, kcal/mol:

-389.45

Dipole, Da:

7.52

IP(EA), eV:

 -8.76(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1-(4-cyclohexyloxyphenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC(=C(C=C3)C4=CC=C(C=C4)Cl)OC)(F)F)NS(=O)(=O)C5=CC=C(C=C5)OCC6CCCCC6

DOS

IR

Vibrations