Geometry & MOs

Info

ID:	175663
PubChem CID:	75933289
Reduced:	FOSN6C24H25 (1)
Stoich.:	ABCD6E24F25 (1)
Weight, g/mol:	367.086487
ΔH_f, kcal/mol:	63.08
Dipole, Da:	6.64
IP(EA), eV:	-8.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethyl-2,4-dioxo-6-(4-pyridin-4-ylsulfanylphenoxy)-5H-pyrimidin-1-ium-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCCC(C3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations