Geometry & MOs

Info

ID:	224222
PubChem CID:	85340207
Reduced:	NTcO6C9H15 (1)
Stoich.:	ABC6D9E15 (1)
Weight, g/mol:	334.974457
ΔH_f, kcal/mol:	-42.57
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.618102
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(2-hydroxyphenyl)sulfanylfuran-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C[N+]#[C-])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].O.O.[Tc]

DOS

IR

Vibrations