Geometry & MOs

Info

ID:	404095
PubChem CID:	135064955
Reduced:	NS2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	200.08373
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	2.76
IP(EA), eV:	-9.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-1-benzoylbicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C1=CC=CC=N1)C2=CC=CC=C2/C=C/S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations