Geometry & MOs

Info

ID:	164363
PubChem CID:	74389679
Reduced:	IO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	640.294235
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	4.36
IP(EA), eV:	-9.55(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[6-(3,7-dimethylocta-1,6-dien-3-yloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

COC(CCC(=CCO)I)OC

DOS

IR

Vibrations