Geometry & MOs

Info

ID:	411352
PubChem CID:	135084175
Reduced:	ClON2F3H8C10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	235.996572
ΔH_f, kcal/mol:	-145.15
Dipole, Da:	1.94
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(furan-2-yl)-3-sulfanyl-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NN=CC(=O)CCl)C(F)(F)F

DOS

IR

Vibrations