Geometry & MOs

Info

ID:	397763
PubChem CID:	135030698
Reduced:	O2F3S3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	372.049928
ΔH_f, kcal/mol:	-256.47
Dipole, Da:	5.46
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2,2,2-trifluoroethyl) 2-(2-methyl-3-oxocyclohexyl)-1,3-dithiane-2-carbothioate

Drug info:

PubChemData

Smile

C1CSC(SC1)(C2CCC(=O)C2)C(=O)SCC(F)(F)F

DOS

IR

Vibrations