Geometry & MOs

Info

ID:

427056

PubChem CID:

135155258

Reduced:

BrSF2N3O4C31H36 (1)

Stoich.:

ABC2D3E4F31G36 (1)

Weight, g/mol:

663.1578

ΔHf, kcal/mol:

-208.53

Dipole, Da:

2.81

IP(EA), eV:

 -8.72(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)-3-[3-(dimethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-3-oxopropan-2-yl]-6-propan-2-yloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@H](C(=O)N3C4CCC3CC(C4)N(C)C)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations