Geometry & MOs

Info

ID:	338976
PubChem CID:	127259987
Reduced:	NO3S4H7C10 (1)
Stoich.:	AB3C4D7E10 (1)
Weight, g/mol:	300.953721
ΔH_f, kcal/mol:	-39.34
Dipole, Da:	3.63
IP(EA), eV:	-9.42(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/2\C(=S)NC(=S)S2)S(=O)(=O)O

DOS

IR

Vibrations