Geometry & MOs

Info

ID:	186483
PubChem CID:	77439123
Reduced:	SO5C18H24 (1)
Stoich.:	AB5C18D24 (1)
Weight, g/mol:	494.251583
ΔH_f, kcal/mol:	-210.5
Dipole, Da:	3.26
IP(EA), eV:	-9.02(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[2-(acetyloxymethyl)-4,5-dimethyl-6-phenylmethoxyoxan-3-yl]oxy-3-hydroxy-4,5-dimethyloxane-2-carboxylate

Drug info:

PubChemData

Smile

CCSC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)C)OC(=O)C

DOS

IR

Vibrations