Geometry & MOs

Info

ID:	182305
PubChem CID:	76873881
Reduced:	FNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	313.097051
ΔH_f, kcal/mol:	-94.64
Dipole, Da:	5.43
IP(EA), eV:	-9.52(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)imino]-3-methyl-1-propylpyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C(C#N)C(=O)O)F

DOS

IR

Vibrations