Geometry & MOs

Info

ID:	121583
PubChem CID:	50774074
Reduced:	FSN3O3H12C17 (1)
Stoich.:	ABC3D3E12F17 (1)
Weight, g/mol:	333.094726
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	2.86
IP(EA), eV:	-8.87(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC3=C2N=CN(C3=O)CC(=O)NCC4=CC=CO4)F

DOS

IR

Vibrations