Geometry & MOs

Info

ID:	121881
PubChem CID:	50785184
Reduced:	ClSO4N5C19H20 (1)
Stoich.:	ABC4D5E19F20 (1)
Weight, g/mol:	467.0063
ΔH_f, kcal/mol:	-97.83
Dipole, Da:	3.83
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCOCC4

DOS

IR

Vibrations