Geometry & MOs

Info

ID:

434672

PubChem CID:

135175465

Reduced:

BrSF2N3O6C33H38 (1)

Stoich.:

ABC2D3E6F33G38 (1)

Weight, g/mol:

661.14215

ΔHf, kcal/mol:

-322.28

Dipole, Da:

11.95

IP(EA), eV:

 -9.31(-1.25)

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-(3-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5

DOS

IR

Vibrations