Geometry & MOs

Info

ID:	121579
PubChem CID:	50774058
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	413.084555
ΔH_f, kcal/mol:	49.33
Dipole, Da:	5.14
IP(EA), eV:	-8.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-(9-fluoro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=CC(=C2)C)N3C1=NN=C3SCC4=CC=CC=C4

DOS

IR

Vibrations