Geometry & MOs

Info

ID:	434580
PubChem CID:	135175255
Reduced:	ClSO3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	633.11085
ΔH_f, kcal/mol:	-65.06
Dipole, Da:	8.78
IP(EA), eV:	-9.42(-1.4)
Spin(S_z, 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-cyclopropyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CC1OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)Cl

DOS

IR

Vibrations