Geometry & MOs

Info

ID:	11179
PubChem CID:	111576
Reduced:	N2O2S3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	338.021741
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	8.65
IP(EA), eV:	-8.37(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2SC1=C3CN(C(=S)S3)CC(=O)O

DOS

IR

Vibrations