Geometry & MOs

Info

ID:

434960

PubChem CID:

135176066

Reduced:

ClF2S2N3O6C32H38 (1)

Stoich.:

AB2C2D3E6F32G38 (1)

Weight, g/mol:

597.133433

ΔHf, kcal/mol:

-336.94

Dipole, Da:

6.42

IP(EA), eV:

 -9.09(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-2-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(S2)Cl)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5

DOS

IR

Vibrations