Geometry & MOs

Info

ID:	408273
PubChem CID:	135081037
Reduced:	O2F3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	245.018036
ΔH_f, kcal/mol:	-227.95
Dipole, Da:	3.93
IP(EA), eV:	-9.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetate

Drug info:

PubChemData

Smile

C/C(=C\OC(=O)C(F)(F)F)/C1=CCCCC1

DOS

IR

Vibrations