Geometry & MOs

Info

ID:	398925
PubChem CID:	135036382
Reduced:	SnO5C46H62 (1)
Stoich.:	AB5C46D62 (1)
Weight, g/mol:	392.183503
ΔH_f, kcal/mol:	-136.14
Dipole, Da:	3.47
IP(EA), eV:	-9.03(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetyloxy-6-(acetyloxymethyl)-2-methyl-4-(2-methylphenyl)oxan-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)[C@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations