Geometry & MOs

Info

ID:

434626

PubChem CID:

135175367

Reduced:

SF2N3O7C38H53 (1)

Stoich.:

AB2C3D7E38F53 (1)

Weight, g/mol:

633.304799

ΔHf, kcal/mol:

-425.94

Dipole, Da:

5.61

IP(EA), eV:

 -9.0(-0.4)

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]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)OC3CCCCC3)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OCC5CCCCC5

DOS

IR

Vibrations