Geometry & MOs

Info

ID:	25598
PubChem CID:	627042
Reduced:	O2N3H9C18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	73.62
Dipole, Da:	7.24
IP(EA), eV:	-9.4(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-ethoxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=C(C#N)C3=NC4=CC=CC=C4N3)C2=O

DOS

IR

Vibrations