Geometry & MOs

Info

ID:	148714
PubChem CID:	53788383
Reduced:	SO4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-208.25
Dipole, Da:	2.08
IP(EA), eV:	-8.87(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-diol

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)O)SCC[C@@H]1CC2CC[C@]1(O2)CO

DOS

IR

Vibrations