Geometry & MOs

Info

ID:	168242
PubChem CID:	74940262
Reduced:	SN3O4H28C30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	261.033388
ΔH_f, kcal/mol:	-20.18
Dipole, Da:	17.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039673
Charge, e:	-1

Chem-info

IUPAC name:

5-[(2-methoxyphenyl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate

Drug info:

PubChemData

Smile

CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C

DOS

IR

Vibrations