Geometry & MOs

Info

ID:

434748

PubChem CID:

135175625

Reduced:

N2O3F6H16C24 (1)

Stoich.:

A2B3C6D16E24 (1)

Weight, g/mol:

649.14215

ΔHf, kcal/mol:

-338.61

Dipole, Da:

9.12

IP(EA), eV:

 -9.57(-1.4)

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-butoxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CC1(C2=C(C=C(C=C2)C(F)(F)F)F)C(=O)NC3=CC(=C(C=C3)C4=CN=C(C=C4)C(F)F)C(=O)O

DOS

IR

Vibrations