Geometry & MOs

Info

ID:

427131

PubChem CID:

135155640

Reduced:

BrFO2N4H24C31 (1)

Stoich.:

ABC2D4E24F31 (1)

Weight, g/mol:

649.14215

ΔHf, kcal/mol:

9.03

Dipole, Da:

1.99

IP(EA), eV:

 -9.25(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-(2-methylpropoxy)naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=C(C=C5)F)C6=CC(=CC=C6)Br

DOS

IR

Vibrations