Geometry & MOs

Info

ID:	412934
PubChem CID:	135085871
Reduced:	OF2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	231.038771
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	3.71
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dithiolan-2-ylidene)-N-ethyl-3-oxobutanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C)C(CC2)(F)F

DOS

IR

Vibrations