Geometry & MOs

Info

ID:	28599
PubChem CID:	828535
Reduced:	ClSO2N3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	295.051444
ΔH_f, kcal/mol:	32.22
Dipole, Da:	2.15
IP(EA), eV:	-8.97(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=NC(=NN1C(=O)C2=CC=CO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations