Geometry & MOs

Info

ID:	337229
PubChem CID:	127256794
Reduced:	NSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	392.032306
ΔH_f, kcal/mol:	-83.02
Dipole, Da:	3.59
IP(EA), eV:	-8.32(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2Z)-2-[(2E)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]-1,3-benzothiazol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1N(C2=CC=CC=C2S1)CCC(=O)OCC=O

DOS

IR

Vibrations