Geometry & MOs

Info

ID:	397762
PubChem CID:	135030696
Reduced:	O6H18C19 (1)
Stoich.:	A6B18C19 (1)
Weight, g/mol:	344.018628
ΔH_f, kcal/mol:	-194.71
Dipole, Da:	8.5
IP(EA), eV:	-8.55(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2,2,2-trifluoroethyl) 2-(3-oxocyclopentyl)-1,3-dithiane-2-carbothioate

Drug info:

PubChemData

Smile

CC1C(C2=C(C3=C4C(=C(C(=C3O)O)O)C(=CC(=O)C4=C2O1)C)O)(C)C

DOS

IR

Vibrations