Geometry & MOs

Info

ID:	222340
PubChem CID:	85297046
Reduced:	SO8C17H24 (1)
Stoich.:	AB8C17D24 (1)
Weight, g/mol:	388.209718
ΔH_f, kcal/mol:	-324.65
Dipole, Da:	3.36
IP(EA), eV:	-9.09(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxy-4-(3-hydroxybut-1-enylidene)-3,5,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)(OCC=C)OCC=C

DOS

IR

Vibrations