Geometry & MOs

Info

ID:

434954

PubChem CID:

135176052

Reduced:

SN3F5O6C35H40 (1)

Stoich.:

AB3C5D6E35F40 (1)

Weight, g/mol:

609.208454

ΔHf, kcal/mol:

-500.1

Dipole, Da:

7.81

IP(EA), eV:

 -9.2(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfinamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations