Geometry & MOs

Info

ID:	405452
PubChem CID:	135074005
Reduced:	BrSO5H9C13 (1)
Stoich.:	ABC5D9E13 (1)
Weight, g/mol:	200.133002
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	5.06
IP(EA), eV:	-8.68(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[but-3-enyl(propan-2-yl)phosphoryl]but-1-ene

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations