Geometry & MOs

Info

ID:	170422
PubChem CID:	75231447
Reduced:	O6C11H19 (2)
Stoich.:	A6B11C19 (2)
Weight, g/mol:	578.330227
ΔH_f, kcal/mol:	-543.18
Dipole, Da:	6.89
IP(EA), eV:	-10.14(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations