Geometry & MOs

Info

ID:	146871
PubChem CID:	53763897
Reduced:	O2C15H21 (2)
Stoich.:	A2B15C21 (2)
Weight, g/mol:	250.141638
ΔH_f, kcal/mol:	-164.81
Dipole, Da:	3.63
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5S)-2,4,5,6-tetrahydroxy-1-pentoxyhexan-3-one

Drug info:

PubChemData

Smile

CCCCC=CCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCC[C@@H](C)CC

DOS

IR

Vibrations