Geometry & MOs

Info

ID:	177383
PubChem CID:	76178792
Reduced:	SO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	389.966153
ΔH_f, kcal/mol:	-149.96
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754254
Charge, e:	-1

Chem-info

IUPAC name:

2-carboxy-4-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenolate

Drug info:

PubChemData

Smile

CCCC(=C(C(=O)OCC)[S+](C)C)O

DOS

IR

Vibrations