Geometry & MOs

Info

ID:	16303
PubChem CID:	463842
Reduced:	SN2O2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	210.046299
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	3.2
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=O)N(S2)CO)C

DOS

IR

Vibrations