Geometry & MOs

Info

ID:

218916

PubChem CID:

85090155

Reduced:

F3O3C31H49 (1)

Stoich.:

A3B3C31D49 (1)

Weight, g/mol:

525.220078

ΔHf, kcal/mol:

-338.18

Dipole, Da:

3.18

IP(EA), eV:

 -9.82(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-[4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-9-trimethylsilyloxy-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-3-methyl-5-methylidenepyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCCCCCCC(CC=CCCCCCCCC(C)C)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

DOS

IR

Vibrations