Geometry & MOs

Info

ID:	132561
PubChem CID:	51379367
Reduced:	SN3O3H29C32 (1)
Stoich.:	AB3C3D29E32 (1)
Weight, g/mol:	315.023966
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	7.3
IP(EA), eV:	-8.84(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-1-(2-fluorophenyl)-5-(furan-2-ylmethylidene)-6-oxo-2-sulfanylidenepyrimidin-4-olate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSC2=C([C@H]([C@@H]3C(=N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N

DOS

IR

Vibrations