Geometry & MOs

Info

ID:	391701
PubChem CID:	135008528
Reduced:	SnN2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	466.147512
ΔH_f, kcal/mol:	81.04
Dipole, Da:	6.89
IP(EA), eV:	-8.95(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[Sn](C)(C)C1=C(C(=CN1)C#N)C2=CC=CC=C2

DOS

IR

Vibrations