Geometry & MOs

Info

ID:	170419
PubChem CID:	75231444
Reduced:	O13C31H56 (1)
Stoich.:	A13B31C56 (1)
Weight, g/mol:	468.184291
ΔH_f, kcal/mol:	-621.81
Dipole, Da:	7.47
IP(EA), eV:	-9.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations