Geometry & MOs

Info

ID:

184807

PubChem CID:

77210357

Reduced:

NO11C30H47 (1)

Stoich.:

AB11C30D47 (1)

Weight, g/mol:

556.20752

ΔHf, kcal/mol:

-510.86

Dipole, Da:

5.71

IP(EA), eV:

 -9.69(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

8-(3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-methyl-7-(2-morpholin-4-yl-2-oxoethyl)-1-phenacyl-5H-purin-7-ium-2,6-dione;hydrochloride

Drug info:

PubChemData

Smile

CCCCCOC(=O)OC1=C(C=C(C=C1)CC(CC(C)OC(=O)OCC(C)CC)(C(=O)O)N)OC(=O)OCCCCC

DOS

IR

Vibrations