Geometry & MOs

Info

ID:	58995
PubChem CID:	24770184
Reduced:	O3C9H10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	839.363564
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	4.24
IP(EA), eV:	-9.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3R,4R,5R)-4-azido-2-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)thian-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC1=CC(=O)OC(=C1C(=O)C)C

DOS

IR

Vibrations