Geometry & MOs

Info

ID:

224496

PubChem CID:

85344017

Reduced:

ClO17C35H35 (1)

Stoich.:

AB17C35D35 (1)

Weight, g/mol:

727.187425

ΔHf, kcal/mol:

-676.0

Dipole, Da:

6.8

IP(EA), eV:

 -8.19(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[5,7-diacetyloxy-2-(4-acetyloxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=C([O+]=C3C=C(C=C(C3=C2)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[Cl-]

DOS

IR

Vibrations