Geometry & MOs

Info

ID:

434663

PubChem CID:

135175450

Reduced:

SF2N3O7C43H49 (1)

Stoich.:

AB2C3D7E43F49 (1)

Weight, g/mol:

633.11085

ΔHf, kcal/mol:

-334.96

Dipole, Da:

3.8

IP(EA), eV:

 -8.76(-0.68)

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-phenylmethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC(=CC=C3)OC4=CC=CC=C4)(F)F)N(C)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations