Geometry & MOs

Info

ID:	342086
PubChem CID:	127264799
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	331.081305
ΔH_f, kcal/mol:	-139.11
Dipole, Da:	0.4
IP(EA), eV:	-8.45(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-tert-butyl-1,3-thiazol-5-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CCN2CCC(C2)(C(=O)OC)F

DOS

IR

Vibrations