Geometry & MOs

Info

ID:

434631

PubChem CID:

135175372

Reduced:

ClSF2N3O4C33H42 (1)

Stoich.:

ABC2D3E4F33G42 (1)

Weight, g/mol:

637.08577

ΔHf, kcal/mol:

-249.69

Dipole, Da:

7.66

IP(EA), eV:

 -9.15(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-4-(4-fluorophenoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C1CC=CC(C(=C)C1)C(C(C(=O)N2CCC(CC2)N)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5)(F)F)Cl

DOS

IR

Vibrations