Geometry & MOs

Info

ID:	220433
PubChem CID:	85189553
Reduced:	NOC26H27 (1)
Stoich.:	ABC26D27 (1)
Weight, g/mol:	210.056195
ΔH_f, kcal/mol:	26.84
Dipole, Da:	3.96
IP(EA), eV:	-8.81(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-4-methoxythiane-2,3,5-triol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=O)N(C)C2=C3CCC4=CC=C(CCC(=C2)C=C3)C=C4

DOS

IR

Vibrations