Geometry & MOs

Info

ID:	1219
PubChem CID:	4007
Reduced:	O11C13H24 (1)
Stoich.:	A11B13C24 (1)
Weight, g/mol:	356.131862
ΔH_f, kcal/mol:	-502.86
Dipole, Da:	3.62
IP(EA), eV:	-10.34(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-2-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol

Drug info:

PubChemData

Smile

CC1(C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)O

DOS

IR

Vibrations