Geometry & MOs

Info

ID:	123303
PubChem CID:	50841459
Reduced:	FSN4O4H15C21 (1)
Stoich.:	ABC4D4E15F21 (1)
Weight, g/mol:	424.10054
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	3.8
IP(EA), eV:	-9.23(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SN=C3C4=CC=C(C=C4)F

DOS

IR

Vibrations