Geometry & MOs

Info

ID:	442651
PubChem CID:	135253641
Reduced:	O3C13H25 (2)
Stoich.:	A3B13C25 (2)
Weight, g/mol:	444.345089
ΔH_f, kcal/mol:	-354.73
Dipole, Da:	3.29
IP(EA), eV:	-10.14(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptadecan-2-yl-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC1OCC2C(O1)C(C(C(O2)OCC)O)O

DOS

IR

Vibrations