Geometry & MOs

Info

ID:	182973
PubChem CID:	76965332
Reduced:	NaSN2O2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	560.056486
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	8.78
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;(5S)-2-oxo-5-phenyl-5-thiophen-2-yl-1H-imidazol-4-olate;(5R)-2-oxo-5-phenyl-5-thiophen-2-yl-1H-imidazol-4-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@]2(C(=O)[N-]C(=O)N2)C3=CC=CS3.[Na+]

DOS

IR

Vibrations