Geometry & MOs

Info

ID:	51033
PubChem CID:	12013648
Reduced:	SO2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	236.087101
ΔH_f, kcal/mol:	1.82
Dipole, Da:	3.99
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E)-8-(benzenesulfinyl)-3,4,5,6-tetrahydro-2H-oxocine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2OC(=C1)S(=O)C3=CC=CC=C3

DOS

IR

Vibrations