Geometry & MOs

Info

ID:	12174
PubChem CID:	131863
Reduced:	SO4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	292.07693
ΔH_f, kcal/mol:	-123.84
Dipole, Da:	5.17
IP(EA), eV:	-9.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-3-phenylmethoxy-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one

Drug info:

PubChemData

Smile

C1C2C(CS(=O)(=O)C2C=CC1=O)OCC3=CC=CC=C3

DOS

IR

Vibrations