Geometry & MOs

Info

ID:	220531
PubChem CID:	85197663
Reduced:	O6C17H24 (1)
Stoich.:	A6B17C24 (1)
Weight, g/mol:	324.118401
ΔH_f, kcal/mol:	-269.48
Dipole, Da:	5.45
IP(EA), eV:	-9.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)oct-1-en-3-ynylbenzene

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC)(C)O)OC(=O)C2=C(C=CC(=C2O)C)C

DOS

IR

Vibrations