Geometry & MOs

Info

ID:	163768
PubChem CID:	74374197
Reduced:	O5H18C19 (1)
Stoich.:	A5B18C19 (1)
Weight, g/mol:	249.067094
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	3.28
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2-(methoxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC=C)OC(=O)C=CC2=CC(=C(C=C2)O)O

DOS

IR

Vibrations