Geometry & MOs

Info

ID:

434768

PubChem CID:

135175685

Reduced:

SN3F5O6C33H42 (1)

Stoich.:

AB3C5D6E33F42 (1)

Weight, g/mol:

605.234669

ΔHf, kcal/mol:

-525.75

Dipole, Da:

3.29

IP(EA), eV:

 -9.74(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

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=CC=C(C=C3)OCC4CCCCC4

DOS

IR

Vibrations