Geometry & MOs

Info

ID:

434929

PubChem CID:

135176025

Reduced:

ClF2N3O3C21H28 (1)

Stoich.:

AB2C3D3E21F28 (1)

Weight, g/mol:

671.239612

ΔHf, kcal/mol:

-254.42

Dipole, Da:

6.01

IP(EA), eV:

 -9.69(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(8-amino-3-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(C=C3)Cl)(F)F)N

DOS

IR

Vibrations