Geometry & MOs

Info

ID:	121568
PubChem CID:	50773699
Reduced:	FSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	371.073991
ΔH_f, kcal/mol:	-148.53
Dipole, Da:	3.28
IP(EA), eV:	-8.79(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=NC3=C(C2=O)SC4=CC=CC(=C43)F)C

DOS

IR

Vibrations