Geometry & MOs

Info

ID:

434513

PubChem CID:

135175108

Reduced:

BrSF2N3O6C31H40 (1)

Stoich.:

ABC2D3E6F31G40 (1)

Weight, g/mol:

599.1265

ΔHf, kcal/mol:

-347.68

Dipole, Da:

5.78

IP(EA), eV:

 -9.68(-0.7)

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]-4-butoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)N2C3CCC2CC(C3)NC(=O)OC(C)(C)C)C(C4=CC=C(C=C4)Br)(F)F

DOS

IR

Vibrations