Geometry & MOs

Info

ID:	123308
PubChem CID:	50841768
Reduced:	SO3N4H20C23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	424.10054
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	1.38
IP(EA), eV:	-8.64(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NSC3=C2N=CN(C3=O)CC(=O)N4CCOC5=C4C=C(C=C5)C

DOS

IR

Vibrations