Geometry & MOs

Info

ID:	121880
PubChem CID:	50785183
Reduced:	ClSO2N5C18H20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	449.092453
ΔH_f, kcal/mol:	-37.85
Dipole, Da:	8.4
IP(EA), eV:	-8.77(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(S1)C(=O)N(C=N2)CC(=O)NC3=CC(=C(C=C3)C)Cl

DOS

IR

Vibrations