Geometry & MOs

Info

ID:	129270
PubChem CID:	51072139
Reduced:	ClN3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	467.955415
ΔH_f, kcal/mol:	4.24
Dipole, Da:	7.1
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[(5E)-4-oxo-2-sulfanylidene-5-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CN(C)C1=NC2=CC=CC=C2C(=C1)N.Cl

DOS

IR

Vibrations