Geometry & MOs

Info

ID:	187995
PubChem CID:	77652234
Reduced:	ON3C24H45 (1)
Stoich.:	AB3C24D45 (1)
Weight, g/mol:	520.070919
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	2.41
IP(EA), eV:	-8.95(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-triacetyloxy-2-(acetyloxymethyl)-6-(2-sulfosulfanylphenyl)oxane

Drug info:

PubChemData

Smile

CCCC(CCC)C(CCC)(CCCN)NCC(C(CC1=CC=CC=C1)N)O

DOS

IR

Vibrations