Geometry & MOs

Info

ID:

434641

PubChem CID:

135175394

Reduced:

ClSF2N2O6C41H49 (1)

Stoich.:

ABC2D2E6F41G49 (1)

Weight, g/mol:

671.239612

ΔHf, kcal/mol:

-340.38

Dipole, Da:

6.92

IP(EA), eV:

 -9.37(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-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)C2C(=O)C(C(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)(F)F)NS(=O)(=O)C5=CC=C(C=C5)OCC6CCCCC6

DOS

IR

Vibrations