Geometry & MOs

Info

ID:	385207
PubChem CID:	134978520
Reduced:	PSF3O3H30C31 (1)
Stoich.:	ABC3D3E30F31 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-205.4
Dipole, Da:	10.94
IP(EA), eV:	-9.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS)-7-oxo-3,4-dihydronaphthalen-4a-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC/C=C/CCP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations