Geometry & MOs

Info

ID:

220016

PubChem CID:

85165147

Reduced:

SN3O3H14C15 (2)

Stoich.:

AB3C3D14E15 (2)

Weight, g/mol:

632.356048

ΔHf, kcal/mol:

-16.09

Dipole, Da:

3.5

IP(EA), eV:

 -9.39(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,20'-dihydroxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-18'-yl)oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C#CCCO)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations