Geometry & MOs

Info

ID:

434761

PubChem CID:

135175656

Reduced:

BrSF2N3O6C39H48 (1)

Stoich.:

ABC2D3E6F39G48 (1)

Weight, g/mol:

703.1891

ΔHf, kcal/mol:

-342.64

Dipole, Da:

10.85

IP(EA), eV:

 -8.82(-0.77)

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]-6-cyclopentyloxy-N-propan-2-ylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)N(C(C(=O)N1C2CCC1CC(C2)NC(=O)OC(C)(C)C)C(C3=CC=C(C=C3)Br)(F)F)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations