Geometry & MOs

Info

ID:	185876
PubChem CID:	77364551
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	711.340732
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	5.42
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol

Drug info:

PubChemData

Smile

CC(C(=COC)C1=CC=CC=C1C=CC2=CSC=N2)C(=O)O

DOS

IR

Vibrations