Geometry & MOs

Info

ID:

434559

PubChem CID:

135175205

Reduced:

ClSF2N3O5C30H34 (1)

Stoich.:

ABC2D3E5F30G34 (1)

Weight, g/mol:

654.05147

ΔHf, kcal/mol:

-266.48

Dipole, Da:

8.52

IP(EA), eV:

 -9.05(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-4-(5-chloropyridin-2-yl)oxybenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C([C@@H](C(=O)N2CCC(CC2)N)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5)(F)F)Cl

DOS

IR

Vibrations