Geometry & MOs

Info

ID:	371558
PubChem CID:	127347168
Reduced:	OSN3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	341.16608
ΔH_f, kcal/mol:	-8.06
Dipole, Da:	6.02
IP(EA), eV:	-8.19(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1CN(CCS1=O)CC2=C(N(N=C2C)C)C

DOS

IR

Vibrations