Geometry & MOs

Info

ID:	336852
PubChem CID:	127255859
Reduced:	NaPN3C4O11H21 (1)
Stoich.:	ABC3D4E11F21 (1)
Weight, g/mol:	326.028266
ΔH_f, kcal/mol:	-708.11
Dipole, Da:	5.95
IP(EA), eV:	-9.57(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydrothieno[3,4-b][1,4]dioxine;(E)-2-phenylethenesulfonic acid

Drug info:

PubChemData

Smile

CN(CC(=O)[O-])/C(=N/P(=O)(O)O)/N.O.O.O.O.O.O.[Na+]

DOS

IR

Vibrations