Geometry & MOs

Info

ID:	220628
PubChem CID:	85198094
Reduced:	SO6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	342.09258
ΔH_f, kcal/mol:	-241.4
Dipole, Da:	6.42
IP(EA), eV:	-10.14(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(phenylmethoxymethyl)-3-phenylsulfanyl-2,6-dioxabicyclo[3.2.0]heptan-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C=CC(C(O2)OC(C)C)O

DOS

IR

Vibrations