Geometry & MOs

Info

ID:	338975
PubChem CID:	127259986
Reduced:	NSO3C16H27 (1)
Stoich.:	ABC3D16E27 (1)
Weight, g/mol:	316.930878
ΔH_f, kcal/mol:	-124.61
Dipole, Da:	5.49
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(CCCOS(=O)(=O)C1=CC=CC=C1)N(C)C

DOS

IR

Vibrations