Geometry & MOs

Info

ID:	407936
PubChem CID:	135080691
Reduced:	BrSC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	208.089958
ΔH_f, kcal/mol:	37.39
Dipole, Da:	1.15
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-fluoro-4-phenylbut-1-enyl] acetate

Drug info:

PubChemData

Smile

CCS/C(=C\C1=CC=CC=C1)/Br

DOS

IR

Vibrations