Geometry & MOs

Info

ID:	407705
PubChem CID:	135080460
Reduced:	PSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	315.99603
ΔH_f, kcal/mol:	-140.82
Dipole, Da:	5.82
IP(EA), eV:	-8.89(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-iodobut-3-enyl] 2-phenylacetate

Drug info:

PubChemData

Smile

CCOP(=S)(C=C=C(C)C)OCC

DOS

IR

Vibrations