Geometry & MOs

Info

ID:

227250

PubChem CID:

87560855

Reduced:

N2Si4O9C32H56 (1)

Stoich.:

A2B4C9D32E56 (1)

Weight, g/mol:

372.057351

ΔHf, kcal/mol:

-504.23

Dipole, Da:

16.57

IP(EA), eV:

 -9.26(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

8-[(6-chloropyridin-3-yl)methyl]-5-hydroxy-6-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-one

Drug info:

PubChemData

Smile

CCCCCC(OC1=CC=C(C=C1)[N+](=O)[O-])[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C(CCCCC)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations