Geometry & MOs

Info

ID:	397764
PubChem CID:	135030701
Reduced:	O2F3S3C14H19 (1)
Stoich.:	A2B3C3D14E19 (1)
Weight, g/mol:	372.049928
ΔH_f, kcal/mol:	-258.81
Dipole, Da:	4.56
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(CCCC1=O)C2(SCCCS2)C(=O)SCC(F)(F)F

DOS

IR

Vibrations