Geometry & MOs

Info

ID:	51034
PubChem CID:	12013649
Reduced:	SO2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	348.212301
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	4.86
IP(EA), eV:	-8.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(benzenesulfinyl)-1-oxacyclohexadec-2-ene

Drug info:

PubChemData

Smile

C1CC/C=C(\OCC1)/S(=O)C2=CC=CC=C2

DOS

IR

Vibrations