Geometry & MOs

Info

ID:

434638

PubChem CID:

135175379

Reduced:

BrSF2N3O4C35H36 (1)

Stoich.:

ABC2D3E4F35G36 (1)

Weight, g/mol:

709.12828

ΔHf, kcal/mol:

-192.35

Dipole, Da:

6.79

IP(EA), eV:

 -9.19(-1.21)

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)-1,1-difluoro-1-(4-iodophenyl)-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC(C(=O)N4C5CCC4CC(C5)N)C(C6=CC7=C(C=C6)C=C(C=C7)Br)(F)F

DOS

IR

Vibrations