Geometry & MOs

Info

ID:	173010
PubChem CID:	75583686
Reduced:	SF2N3O3H21C23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	415.087629
ΔH_f, kcal/mol:	-159.29
Dipole, Da:	3.08
IP(EA), eV:	-9.14(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(4-fluoro-2-methylphenyl)-2,4-dioxo-4aH-thieno[3,2-d]pyrimidin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)C3C(C=CS3)N(C2=O)CC(=O)NCC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations