Geometry & MOs

Info

ID:	1405
PubChem CID:	4340
Reduced:	NSO4C8H13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	219.056529
ΔH_f, kcal/mol:	-165.14
Dipole, Da:	4.55
IP(EA), eV:	-9.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2C(C(C(OC2S1)CO)O)O

DOS

IR

Vibrations