Geometry & MOs

Info

ID:	28601
PubChem CID:	828541
Reduced:	SO2N4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	295.051444
ΔH_f, kcal/mol:	26.14
Dipole, Da:	4.68
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9bR)-6,7-dimethoxy-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=N2)N)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations