Geometry & MOs

Info

ID:	12041
PubChem CID:	127300
Reduced:	O15C19H34 (1)
Stoich.:	A15B19C34 (1)
Weight, g/mol:	502.18977
ΔH_f, kcal/mol:	-692.84
Dipole, Da:	4.33
IP(EA), eV:	-10.4(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[[2,4,5-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]methoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1C(C(C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O)O)COC3C(C(C(C(O3)CO)O)O)O

DOS

IR

Vibrations