Geometry & MOs

Info

ID:	369245
PubChem CID:	127331599
Reduced:	ON2S2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	292.091535
ΔH_f, kcal/mol:	6.73
Dipole, Da:	4.22
IP(EA), eV:	-8.8(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylthiomorpholin-4-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=C(C=CS2)C#N)C

DOS

IR

Vibrations