Geometry & MOs

Info

ID:	397578
PubChem CID:	135030415
Reduced:	NSC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	358.034278
ΔH_f, kcal/mol:	45.61
Dipole, Da:	6.01
IP(EA), eV:	-8.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SC1=CC=NC=C1

DOS

IR

Vibrations