Geometry & MOs

Info

ID:	219051
PubChem CID:	85090412
Reduced:	NS3O5C27H29 (1)
Stoich.:	AB3C5D27E29 (1)
Weight, g/mol:	544.158076
ΔH_f, kcal/mol:	-127.05
Dipole, Da:	5.39
IP(EA), eV:	-8.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl] benzoate

Drug info:

PubChemData

Smile

CC(C1C(N(C1=O)CC2=CC=C(C=C2)OC)C(SC3=CC=CC=C3)SC4=CC=CC=C4)OS(=O)(=O)C

DOS

IR

Vibrations