Geometry & MOs

Info

ID:

434660

PubChem CID:

135175447

Reduced:

ClSF2N3O4C29H32 (1)

Stoich.:

ABC2D3E4F29G32 (1)

Weight, g/mol:

689.273499

ΔHf, kcal/mol:

-226.16

Dipole, Da:

3.95

IP(EA), eV:

 -8.85(-0.8)

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)-1,1-difluoro-3-oxo-1-(3-phenoxyphenyl)propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Cl)(F)F

DOS

IR

Vibrations