Geometry & MOs

Info

ID:

434716

PubChem CID:

135175575

Reduced:

ClSF2N3O4C36H36 (1)

Stoich.:

ABC2D3E4F36G36 (1)

Weight, g/mol:

667.09857

ΔHf, kcal/mol:

-176.02

Dipole, Da:

8.48

IP(EA), eV:

 -9.07(-0.8)

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-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxy-1-benzothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC(C(=O)N4CCNC5(C4)CC5)C(C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)(F)F

DOS

IR

Vibrations