Geometry & MOs

Info

ID:	192630
PubChem CID:	78294043
Reduced:	O3N4H10C11 (1)
Stoich.:	A3B4C10D11 (1)
Weight, g/mol:	489.937359
ΔH_f, kcal/mol:	-29.03
Dipole, Da:	6.49
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[4-oxo-2-sulfanylidene-5-[3-(3-sulfonatopropyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)NC(=O)C(N2)C#N

DOS

IR

Vibrations