Geometry & MOs

Info

ID:	384745
PubChem CID:	134977604
Reduced:	PSF3O3C30H36 (1)
Stoich.:	ABC3D3E30F36 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-255.1
Dipole, Da:	11.96
IP(EA), eV:	-9.89(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3aS,6aR)-1-benzoyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCC/C=C\CCP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations