Geometry & MOs

Info

ID:	234699
PubChem CID:	92303338
Reduced:	Cl4O6H8C11 (1)
Stoich.:	A4B6C8D11 (1)
Weight, g/mol:	244.03402
ΔH_f, kcal/mol:	-237.67
Dipole, Da:	7.88
IP(EA), eV:	-10.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[[(2R)-oxolan-2-yl]methylamino]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1COC2(O1)[C@]3([C@H]([C@@H]([C@@]2(C(=C3Cl)Cl)Cl)C(=O)O)C(=O)O)Cl

DOS

IR

Vibrations