Geometry & MOs

Info

ID:

427055

PubChem CID:

135155256

Reduced:

PS3O9C18H20 (1)

Stoich.:

AB3C9D18E20 (1)

Weight, g/mol:

663.1578

ΔHf, kcal/mol:

-323.21

Dipole, Da:

0.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.776959

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-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

CCC1=C(C(=C(C=C1S(=O)(=O)C)S(=O)(=O)C)C(=O)O[P+](=O)C2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations