Geometry & MOs

Info

ID:	219058
PubChem CID:	85090420
Reduced:	SO5N6C26H38 (1)
Stoich.:	AB5C6D26E38 (1)
Weight, g/mol:	544.324748
ΔH_f, kcal/mol:	-174.02
Dipole, Da:	9.78
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,5-triacetyloxy-6-tetradecoxyoxan-2-yl)methyl acetate

Drug info:

PubChemData

Smile

CCC1=NC(=C2N1C(=O)NC(N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C5CCCC5

DOS

IR

Vibrations