Geometry & MOs

Info

ID:	342655
PubChem CID:	127265815
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	343.024932
ΔH_f, kcal/mol:	45.63
Dipole, Da:	3.31
IP(EA), eV:	-9.38(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(6-fluoro-1,3-benzothiazol-2-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C#CCCCC(=O)N1CC2=CC=CC=C2CC1C3=CC=CC=C3

DOS

IR

Vibrations