Geometry & MOs

Info

ID:	187298
PubChem CID:	77556408
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	451.10521
ΔH_f, kcal/mol:	-5.62
Dipole, Da:	3.66
IP(EA), eV:	-9.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

sodium;6-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]-3-methyl-2,4-dioxo-1-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-1-ium-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C2CC(=O)NCN2

DOS

IR

Vibrations