Geometry & MOs

Info

ID:	170420
PubChem CID:	75231445
Reduced:	O13C19H32 (1)
Stoich.:	A13B19C32 (1)
Weight, g/mol:	524.246891
ΔH_f, kcal/mol:	-562.82
Dipole, Da:	6.23
IP(EA), eV:	-9.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydroxyethyl)-3-(2-hydroxy-3-octoxypropoxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCOCC(COC1=C(C(=O)OC1C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O

DOS

IR

Vibrations