Geometry & MOs

Info

ID:	434935
PubChem CID:	135176033
Reduced:	NOC5H11 (2)
Stoich.:	ABC5D11 (2)
Weight, g/mol:	647.1265
ΔH_f, kcal/mol:	-127.57
Dipole, Da:	2.19
IP(EA), eV:	-8.56(1.63)
Spin(S_z, 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-cyclobutyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C[C@H]1CNCCN1C(O)OC(C)(C)C

DOS

IR

Vibrations