Geometry & MOs

Info

ID:	385892
PubChem CID:	134980250
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	2.41
IP(EA), eV:	-9.53(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-hept-2-enyl]sulfonylbenzene

Drug info:

PubChemData

Smile

C=CCO[C@H]([C@H]1CO1)[C@@H](C=C)OCC2=CC=CC=C2

DOS

IR

Vibrations