Geometry & MOs

Info

ID:

434701

PubChem CID:

135175526

Reduced:

SN3F5O6C36H46 (1)

Stoich.:

AB3C5D6E36F46 (1)

Weight, g/mol:

643.250319

ΔHf, kcal/mol:

-513.85

Dipole, Da:

7.27

IP(EA), eV:

 -9.62(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-[4-[1-(trifluoromethyl)cyclopropyl]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)C3(CC3)C(F)(F)F)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OCC5CCCCC5

DOS

IR

Vibrations