Geometry & MOs

Info

ID:	216818
PubChem CID:	85086825
Reduced:	NO8C12H19 (1)
Stoich.:	AB8C12D19 (1)
Weight, g/mol:	308.070502
ΔH_f, kcal/mol:	-346.51
Dipole, Da:	3.43
IP(EA), eV:	-10.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,2-dimethyl-5-(3-phenylthiatriazolidin-3-ium-5-ylidene)-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC(=O)NC1C=CC(OC1C(C(CO)O)O)(C(=O)O)OC

DOS

IR

Vibrations