Geometry & MOs

Info

ID:	166741
PubChem CID:	74727721
Reduced:	OSN5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	273.051146
ΔH_f, kcal/mol:	143.39
Dipole, Da:	6.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957846
Charge, e:	-1

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-ylmethylidene)-1-methyl-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

CN1C=CC=C1C=NN2C(=NN=C2[S-])C3=CC=CO3

DOS

IR

Vibrations