Geometry & MOs

Info

ID:	249604
PubChem CID:	103090782
Reduced:	OF4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	277.91678
ΔH_f, kcal/mol:	-221.11
Dipole, Da:	2.89
IP(EA), eV:	-10.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-5-chlorothiophen-2-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC(=CC(=C1)F)C(F)(F)F)/C(=O)C

DOS

IR

Vibrations