Geometry & MOs

Info

ID:

215144

PubChem CID:

85084251

Reduced:

N2O9C42H48 (1)

Stoich.:

A2B9C42D48 (1)

Weight, g/mol:

645.370235

ΔHf, kcal/mol:

-243.71

Dipole, Da:

5.07

IP(EA), eV:

 -9.35(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-[[hydroxy-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]phosphoryl]oxymethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl N-octadecylcarbamate

Drug info:

PubChemData

Smile

CC1(C2C(C(C1O)O)OC(=N2)NC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)CO

DOS

IR

Vibrations