Geometry & MOs

Info

ID:

164416

PubChem CID:

74397522

Reduced:

SAg2O3H6C9 (1)

Stoich.:

AB2C3D6E9 (1)

Weight, g/mol:

541.264882

ΔHf, kcal/mol:

-56.86

Dipole, Da:

14.38

IP(EA), eV:

 -8.88(-6.68)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxo-5H-pyrimidin-3-ium-5-yl)-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-dimethylpyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C(C(=O)[O-])S)[O-].[Ag+].[Ag+]

DOS

IR

Vibrations