Geometry & MOs

Info

ID:	397765
PubChem CID:	135030702
Reduced:	O2F3S3C14H19 (1)
Stoich.:	A2B3C3D14E19 (1)
Weight, g/mol:	442.010956
ΔH_f, kcal/mol:	-265.97
Dipole, Da:	3.95
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2,2,2-trifluoroethyl) 2-[1-(4-chlorophenyl)-3-oxobutyl]-1,3-dithiane-2-carbothioate

Drug info:

PubChemData

Smile

CC1(CCCC(=O)C1)C2(SCCCS2)C(=O)SCC(F)(F)F

DOS

IR

Vibrations