Geometry & MOs

Info

ID:

434587

PubChem CID:

135175262

Reduced:

BrF2N3O4C22H30 (1)

Stoich.:

AB2C3D4E22F30 (1)

Weight, g/mol:

691.15271

ΔHf, kcal/mol:

-277.48

Dipole, Da:

6.57

IP(EA), eV:

 -9.36(-0.72)

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-bromo-3-methoxyphenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC(=C(C=C3)Br)OC)(F)F)N

DOS

IR

Vibrations