Geometry & MOs

Info

ID:	121569
PubChem CID:	50773700
Reduced:	FSN3O3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	433.046332
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	1.7
IP(EA), eV:	-8.69(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=O)N1CC(=O)NCC3=CC=CO3)SC4=CC=CC(=C42)F

DOS

IR

Vibrations