Geometry & MOs

Info

ID:

189291

PubChem CID:

77839308

Reduced:

Cl3N3O7C33H42 (1)

Stoich.:

A3B3C7D33E42 (1)

Weight, g/mol:

473.085263

ΔHf, kcal/mol:

-305.02

Dipole, Da:

1.49

IP(EA), eV:

 -8.88(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(6-amino-8-sulfanylidene-7H-purin-9-yl)-3,4-bis(carboxymethyl)-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)N(C(C)C(=O)N(CC(=O)OC(C)(C)C)N2C(CC3=CC=CC=C32)C)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations