Geometry & MOs

Info

ID:	185745
PubChem CID:	77342749
Reduced:	FO3C15H17 (2)
Stoich.:	AB3C15D17 (2)
Weight, g/mol:	462.194856
ΔH_f, kcal/mol:	-300.86
Dipole, Da:	6.87
IP(EA), eV:	-9.33(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydroxypropoxymethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;ethanol

Drug info:

PubChemData

Smile

CCCCC1(C(OC(O1)(CCCC)C2=CC=C(C=C2)C#CC3=C(C(=C(C=C3)CCC)F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations