Geometry & MOs

Info

ID:	220510
PubChem CID:	85197633
Reduced:	SO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	322.229666
ΔH_f, kcal/mol:	-194.22
Dipole, Da:	4.89
IP(EA), eV:	-8.2(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethenyl)octoxymethylbenzene

Drug info:

PubChemData

Smile

CCC1(SCCCS1=O)C(CC)(C(C)C(=O)OCC)O

DOS

IR

Vibrations