Geometry & MOs

Info

ID:	382307
PubChem CID:	134973377
Reduced:	O2S2H5F9C10 (1)
Stoich.:	A2B2C5D9E10 (1)
Weight, g/mol:	395.99247
ΔH_f, kcal/mol:	-518.65
Dipole, Da:	2.99
IP(EA), eV:	-10.31(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-ylidene)-1,3-dithietan-2-ylidene]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1SC(=C(C(F)(F)F)C(F)(F)F)S1)C(F)(F)F

DOS

IR

Vibrations