Geometry & MOs

Info

ID:

343259

PubChem CID:

127266432

Reduced:

ClN2S2O4H25C27 (1)

Stoich.:

AB2C2D4E25F27 (1)

Weight, g/mol:

458.131003

ΔHf, kcal/mol:

-100.9

Dipole, Da:

7.94

IP(EA), eV:

 -8.7(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl bicyclo[2.2.1]heptane-1-carboxylate;chloride;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC2=C(C(=C(S2)N)C(=O)OCC)C3=CC=CC=C3)SC1=N)C4=CC=CC=C4.Cl

DOS

IR

Vibrations