Geometry & MOs

Info

ID:	147651
PubChem CID:	53787308
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	341.056923
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	0.4
IP(EA), eV:	-8.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-3-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C=CC=C2OC)C(=O)OC

DOS

IR

Vibrations